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SCHEMBL6992111

SCHEMBL6992111

CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(-c3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1.CCCCCCC(CCCC)C(=O)N(C)Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.42
▸ FFAR1 O14842 4/20 0.41
▸ HSD17B2 P37059 3/20 0.38
▸ HSD17B1 P14061 2/20 0.38
▸ FSHR P23945 9/20 0.38
▸ PPARG P37231 1/20 0.37

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
SCHEMBL6184221 0.89 FFAR1 (0.50) AOC3FFAR1FSHRPPARG
SCHEMBL6183288 0.88 AOC3 (0.53) AOC3FFAR1HSD17B2HSD17B1PPARG
SCHEMBL5762182 0.82 FFAR1 (0.47) AOC3FFAR1HSD17B2HSD17B1PPARG
SCHEMBL6472881 0.81 FFAR1 (0.57) FFAR1HSD17B2HSD17B1PPARG
SCHEMBL6477719 0.81 FFAR1 (0.57) FFAR1HSD17B2HSD17B1PPARG
SCHEMBL6183176 0.80 FFAR1 (0.59) FFAR1HSD17B2HSD17B1PPARG
SCHEMBL6183571 0.80 FFAR1 (0.51) AOC3FFAR1HSD17B2HSD17B1PPARG
SCHEMBL5399098 0.80 FFAR1 (0.59) AOC3FFAR1HSD17B2HSD17B1PPARG
SCHEMBL5399315 0.78 HSD17B2 (0.57) AOC3FFAR1HSD17B2HSD17B1PPARG
SCHEMBL6183498 0.78 HSD17B2 (0.53) AOC3FFAR1HSD17B2HSD17B1PPARG

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-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 — — WO claimed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 — — WO disclosed