SCHEMBL6017333

SCHEMBL6017333

COCCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1COc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.48
KDM4E B2RXH2 1/20 0.47
PPARD Q03181 11/20 0.45
PPARA Q07869 6/20 0.45
PPARG P37231 2/20 0.45
HCRTR2 O43614 1/20 0.44
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
ICMT O60725 1/20 0.39

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
SCHEMBL6017575 0.91 TRPV1 (0.46) TRPV1PPARDPPARAPPARGHCRTR2
SCHEMBL5617133 0.88 KDM4E (0.48) TRPV1KDM4EPPARDPPARAPPARG
SCHEMBL6017240 0.83 KDM4E (0.43) TRPV1KDM4EPPARDPPARAPPARG
SCHEMBL5617389 0.82 PPARD (0.45) TRPV1PPARDPPARAPPARG
SCHEMBL1998011 0.79 TRPV1 (0.42) TRPV1KDM4EPPARDPPARAPPARG
SCHEMBL6017371 0.79 TRPV1 (0.45) TRPV1PPARDPPARAPPARGHCRTR2
SCHEMBL6223101 0.77 PPARA (0.57) KDM4EPPARDPPARAPPARG
SCHEMBL5617383 0.77 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL6017234 0.77 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL6221808 0.76 PPARG (0.64) KDM4EPPARDPPARAPPARG

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-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed