SCHEMBL27768616

SCHEMBL27768616

CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COCc1ccc(C2=NOC(C=O)N2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.33
PPARA Q07869 8/20 0.33
PPARG P37231 7/20 0.33
FFAR1 O14842 6/20 0.33
ALOX5 P09917 1/20 0.30
PSEN1 P49768 1/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CRHBP P24387 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30
PTPN1 P18031 1/20 0.30

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) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL27769696 0.86 PPARD (0.33) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL27790117 0.85 PPARD (0.40) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL27790208 0.85 PPARD (0.45) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL27790111 0.84 PPARD (0.40) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL27768758 0.84 PPARD (0.39) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL27790112 0.82 PPARD (0.38) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL27768640 0.82 PPARD (0.38) PPARDPPARAPPARGFFAR1ALOX5
SCHEMBL1387064 0.80 NOTUM (0.40) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL3532783 0.80 PPARG (0.36) PPARDPPARAPPARGFFAR1

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