SCHEMBL27717705

SCHEMBL27717705

CCC(Oc1c(F)cc(C#N)c(OC)c1F)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.39
PPARA Q07869 7/20 0.39
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 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
SCHEMBL3745546 0.84 PPARD (0.43) PPARDPPARANPC1ALDH1A1GAA
SCHEMBL3738825 0.82 PPARD (0.46) PPARDPPARANPC1ALDH1A1GAA
SCHEMBL27717913 0.82 PPARD (0.39) PPARDPPARANPC1ALDH1A1GAA
SCHEMBL3748024 0.80 PPARD (0.44) PPARDPPARAFFAR1
SCHEMBL3747883 0.80 PPARD (0.44) PPARDPPARANPC1ALDH1A1GAA
SCHEMBL27738914 0.79 PPARD (0.36) PPARDPPARANPC1ALDH1A1GAA
SCHEMBL3743524 0.77 PPARD (0.45) PPARDPPARAFFAR1
SCHEMBL27738919 0.73 PPARD (0.35) PPARDPPARANPC1ALDH1A1GAA
SCHEMBL27738993 0.71 PPARD (0.47) PPARDPPARAFFAR1
SCHEMBL3746751 0.70 PPARD (0.40) PPARDPPARANPC1ALDH1A1GAA

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
CN-101273036-A Phenyl-[1,2,4]-oxadiazol-5-one derivatives with phenyl group, processes for their preparation and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-09-24 CN disclosed