SCHEMBL6065359

SCHEMBL6065359

Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CCOc1ccc2c(CC(=O)O)c[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PPARD Q03181 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TRPV1 Q8NER1 5/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CDK2 P24941 1/20 0.36
GCGR P47871 2/20 0.35
GOT1 P17174 1/20 0.35
BACE1 P56817 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
SCHEMBL6065370 0.96 PPARD (0.39) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6064614 0.92 PPARD (0.40) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6064607 0.92 PPARD (0.41) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6065368 0.90 PKM (0.41) TRPV1GOT1BACE1
SCHEMBL6064773 0.89 GCGR (0.38) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6064761 0.88 AGER (0.40) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6065718 0.86 PKM (0.40) KDM4ETRPV1GOT1
SCHEMBL6064612 0.85 KDM4E (0.47) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6065278 0.85 KDM4E (0.48) KDM4EPPARDPPARGPPARATRPV1
SCHEMBL6064615 0.83 PPARD (0.45) KDM4EPPARDPPARGPPARA

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 4 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 claimed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO claimed
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