SCHEMBL7166013

SCHEMBL7166013

COCc1cccc(C(=O)NCc2cccc(-c3ccc(CC4SC(=O)NC4=O)cc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.57
PPARG P37231 4/20 0.48
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
PPARA Q07869 1/20 0.46
AURKA O14965 1/20 0.44
CHRM3 P20309 4/20 0.44
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 2/20 0.43
MMP13 P45452 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL7088179 0.94 FFAR1 (0.56) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6184625 0.88 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6184607 0.86 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5395861 0.81 FFAR1 (0.63) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6184178 0.80 FFAR1 (0.53) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5390735 0.79 FFAR1 (0.56) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL4321481 0.79 FFAR1 (0.62) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL7090099 0.79 FFAR1 (0.49) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6526188 0.78 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL7522025 0.78 FFAR1 (0.62) FFAR1PPARGMPC2CYP2C8CYP2C9

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-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO disclosed