SCHEMBL27768640

SCHEMBL27768640

CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(C2=NOC(C=O)N2)c([S+](C)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.38
FFAR1 O14842 9/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 8/20 0.38
ALOX5 P09917 1/20 0.34
PSEN1 P49768 1/20 0.34
CHRM5 P08912 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL27790110 0.90 PPARD (0.43) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27790208 0.90 PPARD (0.45) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27790117 0.90 PPARD (0.40) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27768758 0.89 PPARD (0.39) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27790111 0.89 PPARD (0.40) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27790112 0.87 PPARD (0.38) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27768616 0.82 PPARD (0.33) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL27790115 0.81 PPARD (0.39) PPARDFFAR1PPARGPPARACHRM5
SCHEMBL5433317 0.81 PPARD (0.41) PPARDFFAR1PPARGPPARAALOX5
SCHEMBL3538554 0.81 PPARD (0.39) PPARDFFAR1PPARGPPARACHRM5

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-100582104-C Oxadiazolone derivatives as PPAR delta agonists SANOFI AVENTIS DEUTSCHLAND 2010-01-20 CN disclosed