SCHEMBL7523244

SCHEMBL7523244

CCCc1ccc(C(=O)N(C)Cc2cc(-c3ccccc3)ccc2CC2SC(=O)NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
PPARG P37231 6/20 0.42
HSD17B2 P37059 3/20 0.40
HSD17B1 P14061 2/20 0.40
PTPN1 P18031 1/20 0.38
CA2 P00918 1/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CDK2 P24941 1/20 0.37
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL27592907 0.88 PPARG (0.41) FFAR1PPARGHSD17B2HSD17B1CA2
SCHEMBL6992217 0.88 PPARG (0.41) FFAR1PPARGHSD17B2HSD17B1CA2
SCHEMBL27574800 0.88 FFAR1 (0.48) FFAR1PPARGCA2TDP1
SCHEMBL6183571 0.86 FFAR1 (0.51) FFAR1PPARGHSD17B2HSD17B1
SCHEMBL5760347 0.83 FFAR1 (0.47) FFAR1PPARGPTPN1CA2
SCHEMBL5399098 0.82 FFAR1 (0.59) FFAR1PPARGHSD17B2HSD17B1
SCHEMBL6184172 0.80 FFAR1 (0.59) FFAR1PPARGHSD17B2HSD17B1
SCHEMBL6986558 0.80 FFAR1 (0.41) FFAR1PPARGCA2TDP1
SCHEMBL5403696 0.79 FFAR1 (0.56) FFAR1PPARGHSD17B2HSD17B1
SCHEMBL5760451 0.79 FFAR1 (0.55) FFAR1PPARGHSD17B2HSD17B1

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