SCHEMBL3663532

SCHEMBL3663532

CCc1cc(C(C)CC(=O)O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
GAA P10253 5/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
HSD17B1 P14061 1/20 0.41
BACE1 P56817 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL21348210 0.84 FFAR1 (0.51) FFAR1GAAALDH1A1HPGDALOX15
SCHEMBL8419815 0.83 POLB (0.50) FFAR1GAAALDH1A1HPGDLMNA
SCHEMBL682798 0.82 GAA (0.62) GAAALDH1A1USP2PKMHPGD
SCHEMBL4509711 0.80 SHBG (0.49) FFAR1GAAALDH1A1USP2PKM
SCHEMBL920814 0.78 ESR1 (0.50) GAAALDH1A1USP2PKMHPGD
SCHEMBL5167176 0.78 RNASEH1 (0.55) GAAALDH1A1USP2PKMHPGD
SCHEMBL7792915 0.78 FFAR1 (0.45) FFAR1GAAALDH1A1USP2PKM
SCHEMBL2284641 0.77 ESR1 (0.48) GAAALDH1A1USP2PKMHPGD
SCHEMBL11333006 0.75 FFAR1 (0.57) FFAR1ALDH1A1HPGDESR1LMNA
SCHEMBL16527041 0.75 FFAR1 (0.57) FFAR1ALDH1A1HPGDESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139843-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS Amgen, Inc (US) 2010-01-06 EP disclosed
WO-2008130514-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC. (US) 2008-10-30 WO disclosed