SCHEMBL7560652

SCHEMBL7560652

CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccc(N(C)C)cc1.CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
HSD17B2 P37059 5/20 0.43
HSD17B1 P14061 3/20 0.43
AOC3 Q16853 3/20 0.43
PPARG P37231 2/20 0.39
MPC2 O95563 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDK1 Q15118 4/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6181997 0.94 FFAR1 (0.49) FFAR1HSD17B2HSD17B1PPARGMPC2
SCHEMBL6181638 0.92 FFAR1 (0.52) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL6184172 0.85 FFAR1 (0.59) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL5399098 0.85 FFAR1 (0.59) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL5403696 0.84 FFAR1 (0.56) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL6183498 0.84 HSD17B2 (0.53) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL5760451 0.84 FFAR1 (0.55) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL6182440 0.84 HSD17B2 (0.57) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL5399315 0.84 HSD17B2 (0.57) FFAR1HSD17B2HSD17B1AOC3PPARG
SCHEMBL6185090 0.83 FFAR1 (0.52) FFAR1HSD17B2HSD17B1AOC3PPARG

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-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO disclosed