SCHEMBL6987933

SCHEMBL6987933

CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccccn1.CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.49
PPARG P37231 10/20 0.44
RARG P13631 1/20 0.44
RXRA P19793 1/20 0.44
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
TP53 P04637 1/20 0.38
PPARA Q07869 1/20 0.38
SCD5 Q86SK9 1/20 0.38
MPC2 O95563 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6183090 0.93 FFAR1 (0.55) FFAR1PPARGRARGRXRAAKT1
SCHEMBL6183812 0.91 FFAR1 (0.52) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL6184880 0.81 FFAR1 (0.50) FFAR1PPARGRARGRXRAABHD6
SCHEMBL6184172 0.80 FFAR1 (0.59) FFAR1PPARGRARGRXRAMPC2
SCHEMBL5399098 0.80 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6184136 0.79 PPARG (0.64) FFAR1PPARGRARGRXRAPPARA
SCHEMBL6184614 0.79 FFAR1 (0.52) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL5399580 0.78 FFAR1 (0.61) FFAR1PPARGRARGRXRAPPARA
SCHEMBL6182568 0.78 FFAR1 (0.54) FFAR1PPARGPPARAMPC2CYP2C8
SCHEMBL6183713 0.78 FFAR1 (0.53) FFAR1PPARGPPARAMPC2CYP2C8

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