SCHEMBL9748922

SCHEMBL9748922

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

nearest known ligand 0.46

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
CA4 known ✓ P22748 2/20 0.46
THRB known ✓ P10828 1/20 0.33
PAM P19021 3/20 0.41
TSHR P16473 1/20 0.35
CTH P32929 1/20 0.35
CBS P35520 1/20 0.35
THPO P40225 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CASP1 P29466 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TTR P02766 1/20 0.31
CYP2C9 P11712 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
LDHA P00338 1/20 0.30

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
SCHEMBL4323711 0.82 PAM (0.48) PAMTSHRCTHCBSTHPO
SCHEMBL4638003 0.79 PAM (0.46) PAMTSHRCTHCBSTHPO
SCHEMBL8957435 0.79 PAM (0.48) CA4PAMTSHRCTHCBS
SCHEMBL11684412 0.77 CA4 (0.42) CA4TSHRCTHCBSTHPO
SCHEMBL9748913 0.77 CA4 (0.42) CA4TSHRCTHCBSTHPO
SCHEMBL11684407 0.77 PAM (0.45) PAMTSHRCTHCBSTHPO
SCHEMBL23824911 0.76 CA4 (0.41) CA4MGAMGAASIMGAM2
SCHEMBL27285861 0.76 PAM (0.45) PAMTSHRCTHCBSTHPO
Succinic Acid SCHEMBL27902629 0.75 PAM (0.48) PAMTSHRCTHCBSTHPO
Potassium Ion SCHEMBL11542919 0.74 PAM (0.48) PAMTSHRCTHCBSTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105173-C Dingy fabric clean-up with amylase enzyme in detergent compsns. PROCTER & GAMBLE (US) 2003-04-09 CN disclosed
CN-1252092-A Liquid hard surface cleaning compositions based on specific double-ended polyalkylene glycols PROCTER & GAMBLE (US) 2000-05-03 CN disclosed
CN-1252094-A Liquid hard-surface cleaning compositions PROCTER & GAMBLE (US) 2000-05-03 CN disclosed
CN-1197478-A Dingy fabric clean-up with amylase enzyme in detergent compsns. PROCTER & GAMBLE (US) 1998-10-28 CN disclosed
CN-1067264-A The liquid detergents with aromatic borate of arrestin lytic enzyme PROCTER & GAMBLE (US) 1992-12-23 CN disclosed
EP-0217454-B1 NON-AQUEOUS LIQUID DETERGENT COMPOSITION AND PERBORATE ANHYDROUS UNILEVER N.V. (NL) 1992-03-11 EP disclosed
US-4772412-A SODIUM PERBORATE, PEROXY ACID BLEACH PRECURSOR LEVER BROTHERS COMPANY (US) 1988-09-20 US disclosed
EP-0217454-A2 Non-aqueous liquid detergent composition and perborate anhydrous UNILEVER N.V. (NL) 1987-04-08 EP disclosed
EP-0028849-B1 NON-AQUEOUS, BUILT LIQUID DETERGENT COMPOSITION AND METHOD FOR PREPARING SAME UNILEVER N.V. (NL) 1983-09-28 EP disclosed
US-4326979-A NONIONIC SURFACTANT, SOLVENT, ALKALINE MATERIAL, BUILDER AND HYDROLYZED COPOLYMER OF MALEIC ANHYDRIDE AND ETHYLENE OR METHYL VINYL ETHER; STORAGE STABILITY; LEVER BROTHERS COMPANY (US) 1982-04-27 US disclosed
EP-0028849-A1 Non-aqueous, built liquid detergent composition and method for preparing same UNILEVER N.V. (NL) 1981-05-20 EP disclosed