SCHEMBL7559554

SCHEMBL7559554

CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)C(C)(C)CCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.48
PPARG P37231 8/20 0.42
PPARA Q07869 1/20 0.37
MPC2 O95563 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
MAPT P10636 1/20 0.36
AOC3 Q16853 1/20 0.36
RIPK1 Q13546 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6183723 0.84 FFAR1 (0.55) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL6473659 0.83 FFAR1 (0.52) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL5399580 0.79 FFAR1 (0.61) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL6185012 0.78 FFAR1 (0.57) FFAR1PPARGRARGRXRAAOC3
SCHEMBL6183905 0.78 FFAR1 (0.59) FFAR1PPARGRARGRXRAAOC3
SCHEMBL5399098 0.78 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6184172 0.78 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5392596 0.77 FFAR1 (0.49) FFAR1PPARGPPARAMAPTAOC3
SCHEMBL6182568 0.76 FFAR1 (0.54) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL6183077 0.76 FFAR1 (0.52) FFAR1PPARAMAPTAOC3

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 claimed