SCHEMBL382697

SCHEMBL382697

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

nearest known ligand 0.91

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 0.38
CA4 known ✓ P22748 3/20 0.36
SCN1A known ✓ P35498 1/20 0.32
SCN2A known ✓ Q99250 1/20 0.32
SCN3A known ✓ Q9NY46 1/20 0.32
CA1 known ✓ P00915 1/20 0.30
CA2 known ✓ P00918 1/20 0.30
ALOX15 P16050 3/20 0.91
KDM4E B2RXH2 2/20 0.91
MAPT P10636 1/20 0.91
SMN1; SMN2 Q16637 1/20 0.91
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
CHRM2 P08172 1/20 0.36

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 SCHEMBL11884555 0.97 ALOX15 (0.86) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL379765 0.95 ALOX15 (1.00) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL10888569 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Zinc Ion SCHEMBL9489103 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL29600297 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL786543 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL3986270 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL786772 0.95 ALOX15 (0.82) ALOX15KDM4EMAPTSMN1; SMN2TDP1
Bicine SCHEMBL783494 0.95 KDM4E (0.91) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL10894066 0.95 ALOX15 (0.82) 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 516 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4660233-A1 COMPOSITION OF SUPER ABSORBENT POLYMER AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2025-12-10 EP claimed
CN-119546691-A Superabsorbent polymer composition and method of making same 株式会社LG化学 2025-02-28 CN claimed
WO-2025041008-A1 SYNERGISTIC PESTICIDAL COMPOSITION MALHOTRA SUNITA (IN) 2025-02-27 WO claimed
EP-3590336-B1 USE OF A DISINFECTANT CLEANER COMPOSITION AGAINST ADENOVIRUS AND SIMIAN VIRUS 40 ECOLAB USA INC (US) 2025-02-26 EP claimed
US-12234429-B2 Sustainable laundry sour compositions with iron control ECOLAB USA INC. (US) 2025-02-25 US claimed
WO-2025027494-A1 SYNERGISTIC INSECTICIDAL COMPOSITION MAKKAR SANYA (IN) 2025-02-06 WO claimed
WO-2025012778-A1 SYNERGISTIC HERBICIDAL COMPOSITION AND PROCESS THEREOF BHUTANI SAVI (IN) 2025-01-16 WO claimed
WO-2025008790-A1 STABLE SYNERGISTIC HERBICIDAL COMPOSITION MUNJAL SMITA (IN) 2025-01-09 WO claimed
WO-2025004012-A1 SYNERGISTIC HERBICIDAL COMPOSITION FOR BROAD SPECTRUM WEED CONTROL NAGPAL SAVITA (IN) 2025-01-02 WO claimed
WO-2024253442-A1 COMPOSITION OF SUPER ABSORBENT POLYMER AND PREPARATION METHOD THEREOF 주식회사 엘지화학 2024-12-12 WO claimed
WO-2009148538-A1 BIODEGRADABLE SCALE CONTROL COMPOSITION FOR USE IN HIGHLY CONCENTRATED ALKALINE DETERGENTS AMERICAN STERILIZER COMPANY (US) 2009-12-10 WO claimed
US-20090298738-A1 Biodegradable scale control composition for use in highly concentrated Alkaline hard surface detergents AMERICAN STERILIZER COMPANY (US) 2009-12-03 US claimed
US-20090281014-A1 BIODEGRADABLE DETERGENT CONCENTRATE FOR MEDICAL INSTRUMENTS AND EQUIPMENT AMERICAN STERILIZED COMPANY (US) 2009-11-12 US claimed
WO-2009020546-A1 BIODEGRADABLE DETERGENT CONCENTRATE FOR MEDICAL INSTRUMENTS AND EQUIPMENT AMERICAN STERILIZER COMPANY (US) 2009-02-12 WO claimed
US-20090032058-A1 Biodegradable detergent concentrate for medical instruments and equipment AMERICAN STERILIZER COMPANY 2009-02-05 US claimed
US-20080314409-A1 METHOD FOR WASHING A GLASS CONTAINER DIVERSEY, INC. (FORMERLY KNOWN AS JOHNSONDIVERSEY, INC.) 2008-12-25 US claimed
WO-2007137250-A1 A METHOD FOR WASHING A GLASS CONTAINER JOHNSONDIVERSEY, INC. (US) 2007-11-29 WO claimed
EP-1859873-A1 Method and apparatus for washing a glass container JohnsonDiversey, Inc. (US) 2007-11-28 EP claimed
US-4253842-A DETERGENTS, BUILDERS, AND ADJUVANTS SEPARATELY PACKAGED COLGATE-PALMOLIVE COMPANY (US) 1981-03-03 US claimed
US-3953379-A Manufacture of improved aqueous alkali metal silicate-alkali metal hydroxyalkyl iminodiacetate compositions COLGATE-PALMOLIVE COMPANY (US) 1976-04-27 US claimed