SCHEMBL6473032

SCHEMBL6473032

CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccc2cc(OCC(=O)O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.55
PPARG P37231 9/20 0.50
MPC2 O95563 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C9 P11712 2/20 0.49
HSD17B2 P37059 3/20 0.44
PPARA Q07869 1/20 0.43
RARG P13631 1/20 0.42
RXRA P19793 1/20 0.42
HSD17B1 P14061 1/20 0.41

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
SCHEMBL5762703 0.94 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6477734 0.92 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5382953 0.91 FFAR1 (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5382574 0.91 FFAR1 (0.53) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5760239 0.90 HSD17B2 (0.56) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5762215 0.89 FFAR1 (0.54) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5396096 0.89 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5383709 0.89 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5760195 0.89 FFAR1 (0.52) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5389745 0.88 FFAR1 (0.55) 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 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