SCHEMBL8705694

SCHEMBL8705694

CCCCCCc1cc(C(=O)O)c[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
NOTUM Q6P988 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42

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
SCHEMBL6207336 0.87 NOTUM (0.48) ALDH1A1KMT2ANOTUMHCAR2PPARG
SCHEMBL6209517 0.82 NOTUM (0.53) MEN1ALDH1A1KMT2ANOTUMHCAR2
SCHEMBL9148988 0.80 HCAR2 (0.53) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9147411 0.80 HCAR2 (0.53) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4649373 0.78 NOTUM (0.42) RARBMEN1ALDH1A1RARAKMT2A
SCHEMBL9019247 0.78 HCAR2 (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4648846 0.77 NOTUM (0.44) ALDH1A1MAPTNOTUMHCAR2HCAR3
SCHEMBL1236242 0.76 PLA2G2A (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL29129461 0.76 PLA2G2A (0.51) RARBMEN1ALDH1A1RARAMAPT
Methyl Alcohol SCHEMBL7192588 0.74 PLA2G2A (0.50) RARBMEN1ALDH1A1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO disclosed