SCHEMBL6064637

SCHEMBL6064637

Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)cc2[nH]cc(CC(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.43
PTGER4 P35408 1/20 0.37
PPARA Q07869 2/20 0.37
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
FFAR1 O14842 1/20 0.35
GCGR P47871 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL6064771 0.91 PPARD (0.37) PPARDPTGER4PPARAKDM5AKDM2B
SCHEMBL6064607 0.87 PPARD (0.41) PPARDPTGER4PPARAKDM5AKDM2B
SCHEMBL6065278 0.86 KDM4E (0.48) PPARDPTGER4PPARAPTGS1PTGS2
SCHEMBL6065143 0.80 PKM (0.42) PPARDPTGER4FFAR1
SCHEMBL6065359 0.79 KDM4E (0.38) PPARDPPARAKDM5AKDM2BKDM4C
SCHEMBL6064615 0.79 PPARD (0.45) PPARDPPARA
SCHEMBL6065370 0.79 PPARD (0.39) PPARDPPARAKDM5AKDM2BKDM4C
SCHEMBL2430111 0.77 GCGR (0.47) PPARDKDM5AKDM2BKDM4CKDM5B
SCHEMBL6065408 0.76 PPARD (0.40) PPARDPPARAGCGR
SCHEMBL6064622 0.76 PPARD (0.38) PPARDPTGER4PPARAKDM5AKDM2B

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