SCHEMBL379765

SCHEMBL379765

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 0.40
CA4 known ✓ P22748 4/20 0.35
CA1 known ✓ P00915 3/20 0.35
CA2 known ✓ P00918 3/20 0.35
SCN1A known ✓ P35498 1/20 0.30
SCN2A known ✓ Q99250 1/20 0.30
SCN3A known ✓ Q9NY46 1/20 0.30
ALOX15 P16050 3/20 1.00
KDM4E B2RXH2 2/20 1.00
MAPT P10636 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
Water SCHEMBL10767426 0.98 KDM4E (0.95) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Water SCHEMBL9900448 0.98 KDM4E (0.95) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL31349875 0.98 KDM4E (0.95) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Potassium Ion SCHEMBL2322535 0.95 ALOX15 (0.91) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL9449227 0.95 ALOX15 (0.91) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Bicine SCHEMBL783494 0.95 KDM4E (0.91) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL382697 0.95 ALOX15 (0.91) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Water SCHEMBL11884555 0.93 ALOX15 (0.86) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL11339918 0.92 KDM4E (0.84) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL31491190 0.92 KDM4E (0.84) ALOX15KDM4EMAPTSMN1; 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 362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741492-A2 NECROSIS INHIBITOR Linkgevity Limited (GB) 2026-05-13 EP claimed
EP-4648769-A2 NECROSIS INHIBITOR Linkgevity Limited (GB) 2025-11-19 EP claimed
WO-2025050032-A1 METHODS OF PRODUCING CDKL5 PROTEINS AND USES OF THE SAME ULTRAGENYX PHARMACEUTICAL INC. (US) 2025-03-06 WO claimed
WO-2024212088-A1 HYDROGEN SYNTHESIS FROM HYDROGEN SULFIDE GAS SAUDI ARABIAN OIL COMPANY (SA) 2024-10-17 WO claimed
WO-2024152094-A1 METHOD FOR REDUCING THE COLOURING OF SUGAR, PROCESS FOR PRODUCING SUGAR WITH LOW COLOUR, COMPOSITION AND USE OF A CHELATING AGENT ITALMATCH CHEMICALS SPA (IT) 2024-07-25 WO claimed
WO-2024150130-A2 NECROSIS INHIBITOR LINKGEVITY LIMITED (GB) 2024-07-18 WO claimed
CN-116512716-A Full-degradable heat-insulating film and preparation method and application thereof 四川省交通建设集团有限责任公司 2023-08-01 CN claimed
US-11084971-B2 Acidizing treatment fluids for use in subterranean formation operations HALLIBURTON ENERGY SERVICES, INC. (US) 2021-08-10 US claimed
EP-3263145-B1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR LOCKING CATHETERS BECTON DICKINSON CO (US) 2021-01-20 EP claimed
CN-111278787-A Method for inhibiting gypsum seed formation in ready-mix setting type joint compounds 美国石膏公司 2020-06-12 CN claimed
US-20070202177-A1 Antimicrobial Compositions and Methods for Locking Catheters BECTON, DICKINSON AND COMPANY (US) 2007-08-30 US claimed
US-6890550-B1 Method of preventing parturient hypocalcemia in animals and compositions used therein RJ INNOVATION (DK) 2005-05-10 US claimed
US-6670508-B2 Quaternizing 1,3-bis-dimethylamineisopropyl acrylate with benzyl chloride at a temperature of 35-60 degrees C., adding water ATOFINA (FR) 2003-12-30 US claimed
EP-1245247-A1 Biocidal locks Biolink Corporation (US) 2002-10-02 EP claimed
US-6350251-B1 Biocidal locks BIOLINK CORPORATION 2002-02-26 US claimed
US-5447602-A Adding to slurry, peroxide compound/s and non-alkali/alkaline earth metal salt or chelate catalyst to oxidize resin HENKEL CORPORATION (US) 1995-09-05 US claimed
EP-0145506-B1 ELIMINATION OF DEFECTS IN CYSTEINE-SENSITIZED EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-03-02 EP claimed
US-4714804-A Rotary switch having rotary contacts with an amorphous alloy coating AISIN SEIKI KABUSHIKIKAISHA (JP) 1987-12-22 US claimed
US-4558145-A Preparation of Fe chelates CIBA GEIGY CORPORATION (US) 1985-12-10 US claimed
EP-0145506-A2 Elimination of defects in cysteine-sensitized emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-19 EP claimed