SCHEMBL6064773

SCHEMBL6064773

O=C(O)Cc1c[nH]c2cc(OCCc3cc(-c4ccc(OC(F)(F)F)cc4)nn3CC(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.38
TRPV1 Q8NER1 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CDK2 P24941 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GOT1 P17174 1/20 0.35
BACE1 P56817 1/20 0.34

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) GCGRTRPV1KDM4EPPARGPPARD
SCHEMBL6065284 0.90 PKM (0.39) GCGRTRPV1GOT1BACE1
SCHEMBL6065359 0.89 KDM4E (0.38) GCGRTRPV1KDM4ECDK2PPARG
SCHEMBL6065370 0.85 PPARD (0.39) GCGRTRPV1KDM4ECDK2PPARG
SCHEMBL6065360 0.84 PPARD (0.44) KDM4EPPARGPPARDPPARA
SCHEMBL6065162 0.82 PKM (0.40) GCGRTRPV1PPARD
SCHEMBL6064607 0.82 PPARD (0.41) GCGRTRPV1KDM4EPPARGPPARD
SCHEMBL6064622 0.80 PPARD (0.38) GCGRTRPV1KDM4ECDK2PPARG
SCHEMBL6064614 0.80 PPARD (0.40) TRPV1KDM4EPPARGPPARDPPARA
SCHEMBL6065368 0.79 PKM (0.41) TRPV1GOT1BACE1

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