SCHEMBL5697607

SCHEMBL5697607

O=C([O-])CN(CC(=O)[O-])[C@@H](CCC(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.34

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
GABRP known ✓ O00591 2/20 0.33
GABRD known ✓ O14764 2/20 0.33
GABRA1 known ✓ P14867 2/20 0.33
GABRB1 known ✓ P18505 2/20 0.33
GABRG2 known ✓ P18507 2/20 0.33
GABRB3 known ✓ P28472 2/20 0.33
GABRA5 known ✓ P31644 2/20 0.33
GABRA3 known ✓ P34903 2/20 0.33
GABRA2 known ✓ P47869 2/20 0.33
GABRB2 known ✓ P47870 2/20 0.33
GABRA4 known ✓ P48169 2/20 0.33
GABRE known ✓ P78334 2/20 0.33
GABRA6 known ✓ Q16445 2/20 0.33
GABRG1 known ✓ Q8N1C3 2/20 0.33
GABRG3 known ✓ Q99928 2/20 0.33
GABRQ known ✓ Q9UN88 2/20 0.33
CA1 known ✓ P00915 1/20 0.33
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34

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
SCHEMBL9982930 0.96 TET2 (0.34) TET2KDM4AKDM4CKDM2ATET3
Potassium Ion SCHEMBL2724115 0.93 TET2 (0.32) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL11175500 0.90 TET2 (0.35) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL29913566 0.89 CA1 (0.39) FOLH1CA1
SCHEMBL23203184 0.89 TET2 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL29757158 0.89 TET2 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL29462188 0.89 TET2 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL169001 0.88 CA1 (0.45) FOLH1CA1NFKB1KDM4EMAPT
SCHEMBL169002 0.88 CA1 (0.45) FOLH1CA1NFKB1KDM4EMAPT
SCHEMBL22194082 0.88 CA1 (0.45) FOLH1CA1NFKB1KDM4EMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165730-B1 ALL PURPOSE LIQUID BATHROOM CLEANING COMPOSITIONS COLGATE PALMOLIVE CO (US) 2006-09-06 EP claimed
EP-1165730-A1 ALL PURPOSE LIQUID BATHROOM CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2002-01-02 EP claimed
WO-2000058430-A1 ALL PURPOSE LIQUID BATHROOM CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2000-10-05 WO claimed
US-6034046-A MIXTURE CONTAINING ZWITTERION SURFACTANT COLGATE PALMOLIVE COMPANY (US) 2000-03-07 US claimed
EP-1165730-B1 ALL PURPOSE LIQUID BATHROOM CLEANING COMPOSITIONS COLGATE PALMOLIVE CO (US) 2006-09-06 EP disclosed
EP-1423495-B1 ANTI-LIME SCALE CLEANING COMPOSITION COLGATE PALMOLIVE CO (US) 2006-07-05 EP disclosed
EP-1423495-A1 ANTI-LIME SCALE CLEANING COMPOSITION Colgate-Palmolive Company (US) 2004-06-02 EP disclosed
WO-2003022975-A1 ANTI-LIME SCALE CLEANING COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2003-03-20 WO disclosed
US-6362148-B1 CLEANING COMPOUND CONTAINING SURFACTANT AND ADDITION-CONDENSATION COPOLYMER COLGATE-PALMOLIVE CO. 2002-03-26 US disclosed
EP-1165730-A1 ALL PURPOSE LIQUID BATHROOM CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2002-01-02 EP disclosed
WO-2000058430-A1 ALL PURPOSE LIQUID BATHROOM CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2000-10-05 WO disclosed
US-6034046-A MIXTURE CONTAINING ZWITTERION SURFACTANT COLGATE PALMOLIVE COMPANY (US) 2000-03-07 US disclosed