SCHEMBL4028631

SCHEMBL4028631

CCOC(CCNC(=O)OCc1ccccc1)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.59
PPARA Q07869 15/20 0.59
PPARD Q03181 3/20 0.51

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
SCHEMBL4030021 0.94 FFAR1 (0.52) PPARGPPARA
SCHEMBL4027917 0.88 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL4028469 0.88 FFAR1 (0.53) PPARGPPARA
SCHEMBL4026297 0.88 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL13722600 0.83 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL13721816 0.83 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4027238 0.83 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL13721919 0.83 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4032008 0.83 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4027823 0.83 PPARG (0.61) PPARGPPARAPPARD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed