SCHEMBL2331738

SCHEMBL2331738

O=C([O-])CN(CCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 1/20 0.39
CA4 known ✓ P22748 4/20 0.38
CA1 known ✓ P00915 3/20 0.35
CA2 known ✓ P00918 2/20 0.31
CA12 known ✓ O43570 1/20 0.31
KDM4E B2RXH2 2/20 0.62
ALOX15 P16050 2/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 2/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5690756 0.97 KDM4E (0.60) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL5495954 0.94 KDM4E (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
Potassium Ion SCHEMBL9336388 0.94 KDM4E (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL9566602 0.92 KDM4E (0.54) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL8853297 0.92 KDM4E (0.60) KDM4EALOX15MAPTSMN1; SMN2TDP1
Potassium Ion SCHEMBL9566492 0.92 KDM4E (0.54) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL9810940 0.91 TDP1 (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
Water SCHEMBL7566259 0.90 KDM4E (0.52) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL9308039 0.89 KDM4E (0.56) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL42427 0.88 KDM4E (0.76) KDM4EALOX15MAPTSMN1; SMN2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024164364-A1 IMPURITY REMOVING AGENT FOR POLYCRYSTALLINE SILICON HIGH-BOILER AND USE THEREOF 华陆工程科技有限责任公司 2024-08-15 WO claimed
US-7534760-B2 Highly alkaline compositions containing a hexyl glycoside as a hydrotrope AKZO NOBEL N.V. (NL) 2009-05-19 US claimed
US-20050215462-A1 Highly alkaline compositions containing a hexyl glycoside as a hydrotrope WILMINGTON TRUST (LONDON) LIMITED, AS COLLATERAL AGENT (GB) 2005-09-29 US claimed
EP-0815188-B1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL NV (NL) 2001-09-05 EP claimed
US-6080716-A Alkaline detergent having high contents of nonionic surfactant and complexing agent, and use of an amphoteric compound as solubilizer AKZO NOBEL N.V. (NL) 2000-06-27 US claimed
EP-0815188-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1998-01-07 EP claimed
WO-1996029384-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1996-09-26 WO claimed
WO-2024164364-A1 IMPURITY REMOVING AGENT FOR POLYCRYSTALLINE SILICON HIGH-BOILER AND USE THEREOF 华陆工程科技有限责任公司 2024-08-15 WO disclosed
EP-2652106-B1 LOW STREAK DEGREASING COMPOSITION NOURYON CHEMICALS INT BV (NL) 2019-10-09 EP disclosed
US-20170073615-A1 COMPOSITION FOR CLEANING OF HARD SURFACES AKZO NOBEL CHEMICALS INT BV (NL) 2017-03-16 US disclosed
US-8980818-B2 Low streak degreasing composition AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-03-17 US disclosed
US-8937033-B2 Use of phosphated alcanols as dispersants, emulsifiers, hydrotropes, wetting agents and compatability agents in agricultural compositions AKZO NOBEL N.V. (NL) 2015-01-20 US disclosed
EP-2649171-B1 COMPOSITION FOR CLEANING OF HARD SURFACES AKZO NOBEL CHEMICALS INT BV (NL) 2014-10-29 EP disclosed
EP-0815188-B1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL NV (NL) 2001-09-05 EP disclosed
EP-1042438-A1 HIGHLY ALKALINE COMPOSITIONS CONTAINING A HEXYL GLYCOSIDE AS A HYDROTROPE AKZO NOBEL N.V. (NL) 2000-10-11 EP disclosed
US-6080716-A Alkaline detergent having high contents of nonionic surfactant and complexing agent, and use of an amphoteric compound as solubilizer AKZO NOBEL N.V. (NL) 2000-06-27 US disclosed
WO-1999021948-A1 HIGHLY ALKALINE COMPOSITIONS CONTAINING A HEXYL GLYCOSIDE AS A HYDROTROPE AKZO NOBEL N.V. (NL) 1999-05-06 WO disclosed
EP-0815188-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1998-01-07 EP disclosed
WO-1996029384-A1 ALKALINE DETERGENT HAVING HIGH CONTENTS OF NONIONIC SURFACTANT AND COMPLEXING AGENT, AND USE OF AN AMPHOTERIC COMPOUND AS SOLUBILISER AKZO NOBEL N.V. (NL) 1996-09-26 WO disclosed
EP-0180841-A1 Method concerning the corrosive properties of solutions of disinfecting agents Henkel Kommanditgesellschaft auf Aktien (DE) 1986-05-14 EP disclosed