SCHEMBL6065360

SCHEMBL6065360

O=C(O)Cc1c[nH]c2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)nn3CC(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.44
PPARA Q07869 11/20 0.44
PPARG P37231 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL6065408 0.92 PPARD (0.40) PPARDPPARAPPARGKDM4E
SCHEMBL6065385 0.92 PPARD (0.44) PPARDPPARAPPARGPTGDR2KDM4E
SCHEMBL6065369 0.90 PKM (0.40) PPARDPPARAPPARG
SCHEMBL6064615 0.88 PPARD (0.45) PPARDPPARAPPARGPTGDR2KDM4E
SCHEMBL6064773 0.84 GCGR (0.38) PPARDPPARAPPARGKDM4E
SCHEMBL6064764 0.82 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL6064614 0.82 PPARD (0.40) PPARDPPARAPPARGKDM4E
SCHEMBL6065162 0.82 PKM (0.40) PPARD
SCHEMBL6064761 0.81 AGER (0.40) PPARDPPARAPPARGKDM4E
SCHEMBL6064607 0.80 PPARD (0.41) PPARDPPARAPPARGPTGDR2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed