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SCHEMBL6473015

SCHEMBL6473015

COc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(-c4ccc(CC5SC(=O)NC5=O)cc4)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 5/20 0.59
▸ FFAR1 O14842 7/20 0.57
▸ PPARG P37231 7/20 0.55
▸ MPC2 O95563 1/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HSD17B1 P14061 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PPARA Q07869 2/20 0.46

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
SCHEMBL6183075 1.00 HSD17B2 (0.59) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL7092043 0.97 HSD17B2 (0.61) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL5760239 0.93 HSD17B2 (0.56) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL6184391 0.93 PPARG (0.59) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL5399098 0.92 FFAR1 (0.59) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL6480099 0.91 FFAR1 (0.58) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL6473690 0.91 FFAR1 (0.58) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL6479881 0.91 FFAR1 (0.55) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL5389911 0.91 FFAR1 (0.60) HSD17B2FFAR1PPARGMPC2CYP2C8
SCHEMBL6185081 0.91 FFAR1 (0.55) HSD17B2FFAR1PPARGMPC2CYP2C8

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
US-6908939-B2 Biaromatic ligand activators of PPARγ receptors GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2005-06-21 — — US claimed