SCHEMBL4032008

SCHEMBL4032008

CCCC(OCC)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.61
PPARA Q07869 16/20 0.61
PPARD Q03181 4/20 0.55

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
SCHEMBL4027823 0.94 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4026023 0.93 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4033036 0.92 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4028932 0.92 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL4031995 0.91 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL4025387 0.90 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4030878 0.90 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4026013 0.90 FFAR1 (0.54) PPARGPPARA
SCHEMBL4027397 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL6204789 0.89 PPARG (0.58) 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