SCHEMBL9987643

SCHEMBL9987643

CCOc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCC(OC)CC2)ccc1-c1noc(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.38
PPARD Q03181 8/20 0.38
SSTR5 P35346 1/20 0.38
PPARG P37231 4/20 0.37
FFAR1 O14842 3/20 0.37
KCNH2 Q12809 1/20 0.37
PPARA Q07869 4/20 0.36
ALDH1A1 P00352 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
SCHEMBL3773141 0.95 CTSS (0.39) CTSSPPARDPPARGFFAR1KCNH2
SCHEMBL3775200 0.90 CTSS (0.40) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3777668 0.89 PPARD (0.40) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3766706 0.89 CTSS (0.39) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3770511 0.88 PPARD (0.39) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3778903 0.88 PPARD (0.40) CTSSPPARDPPARGFFAR1KCNH2
SCHEMBL3768480 0.86 STAT3 (0.37) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3776581 0.86 PPARD (0.39) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3767272 0.86 PPARD (0.39) CTSSPPARDPPARGFFAR1PPARA
SCHEMBL3773133 0.86 PPARD (0.39) CTSSPPARDPPARGFFAR1PPARA

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
EP-1934206-B1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-14 EP disclosed