SCHEMBL7136185

SCHEMBL7136185

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1.CN(C(=O)Nc1ccccc1)c1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
PPARG P37231 8/20 0.40
EPHX1 P07099 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MPC2 O95563 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL5568294 0.94 FFAR1 (0.45) FFAR1PPARGALDH1A1EPHX2MPC2
SCHEMBL6182666 0.90 FFAR1 (0.52) FFAR1PPARGALDH1A1MPC2CYP2C8
SCHEMBL5394084 0.88 FFAR1 (0.52) FFAR1PPARGALDH1A1MPC2CYP2C8
SCHEMBL5394455 0.87 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5390364 0.87 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6185615 0.85 FFAR1 (0.53) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL7142381 0.85 FFAR1 (0.49) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5383043 0.83 FFAR1 (0.46) FFAR1PPARGALDH1A1MPC2CYP2C8
SCHEMBL6184382 0.83 FFAR1 (0.48) FFAR1PPARGALDH1A1MPC2CYP2C8
SCHEMBL5407319 0.83 FFAR1 (0.52) 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 3 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 claimed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO claimed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO claimed