SCHEMBL6064622

SCHEMBL6064622

O=C(O)Cc1c[nH]c2cc(OCc3cc(-c4ccc(OC(F)(F)F)cc4)nn3C(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.38
GCGR P47871 5/20 0.38
KDM4E B2RXH2 1/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.34
KDM5A P29375 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL6064759 0.90 PKM (0.40) PPARDGCGRKDM4ETRPV1ALDH1A1
SCHEMBL6064607 0.88 PPARD (0.41) PPARDGCGRKDM4EPPARAPPARG
SCHEMBL6065408 0.87 PPARD (0.40) PPARDGCGRKDM4EPPARAPPARG
SCHEMBL6065359 0.82 KDM4E (0.38) PPARDGCGRKDM4EPPARAPPARG
SCHEMBL6065278 0.81 KDM4E (0.48) PPARDKDM4EPPARAPPARGTRPV1
SCHEMBL6065370 0.81 PPARD (0.39) PPARDGCGRKDM4EPPARAPPARG
SCHEMBL6064773 0.80 GCGR (0.38) PPARDGCGRKDM4EPPARAPPARG
SCHEMBL5617395 0.80 PPARD (0.44) PPARDKDM4EPPARAPPARGALDH1A1
SCHEMBL6064615 0.80 PPARD (0.45) PPARDKDM4EPPARAPPARG
SCHEMBL6065143 0.79 PKM (0.42) PPARDTRPV1ALDH1A1CYP2C9HPGD

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