SCHEMBL3540206

SCHEMBL3540206

COCc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cc1ccc(C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
PPARD Q03181 14/20 0.40
PPARA Q07869 10/20 0.40
PPARG P37231 7/20 0.40
FFAR1 O14842 3/20 0.38
MAPT P10636 2/20 0.38
AR P10275 1/20 0.37
CNR2 P34972 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
SCHEMBL3536372 0.88 PPARD (0.45) CNR1PPARDPPARAPPARGFFAR1
SCHEMBL3539259 0.80 PPARD (0.42) CNR1PPARDPPARAPPARGFFAR1
SCHEMBL3542725 0.79 PPARD (0.45) CNR1PPARDPPARAPPARGFFAR1
SCHEMBL3537640 0.77 PPARD (0.44) CNR1PPARDPPARAPPARGFFAR1
SCHEMBL3537011 0.73 CYP11B1 (0.41) PPARDPPARAPPARGFFAR1
SCHEMBL3533934 0.73 PPARD (0.39) CNR1PPARDPPARAPPARGFFAR1
SCHEMBL3764067 0.72 CDK1 (0.42) PPARDPPARAPPARGFFAR1
SCHEMBL15160329 0.71 PPARD (0.61) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL18003806 0.71 MAPT (0.52) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL3745525 0.70 XDH (0.41) PPARDPPARAPPARGAR

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-7709509-B2 Oxadiazolones and derivatives thereof as peroxisome proliferator-activated receptor (PPAR) delta agonists SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed