SCHEMBL4032708

SCHEMBL4032708

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3ccc(-c4ccccc4)s3)oc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.63
PPARA Q07869 15/20 0.63
FFAR1 O14842 1/20 0.58
PPARD Q03181 2/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL4030505 0.94 PPARG (0.64) PPARGPPARAFFAR1PPARD
SCHEMBL4029556 0.91 PPARG (0.55) PPARGPPARAFFAR1
SCHEMBL4034971 0.89 FFAR1 (0.49) PPARGPPARAFFAR1
SCHEMBL4032694 0.89 FFAR1 (0.49) PPARGPPARAFFAR1
SCHEMBL4030711 0.88 PPARA (0.67) PPARGPPARAFFAR1PPARDKDR
SCHEMBL4032676 0.86 PPARA (0.61) PPARGPPARAFFAR1PPARD
SCHEMBL4034248 0.84 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4026131 0.84 PPARG (0.61) PPARGPPARAFFAR1PPARD
SCHEMBL4032217 0.84 FFAR1 (0.58) PPARGPPARAFFAR1PPARD
SCHEMBL4027732 0.83 FFAR1 (0.55) PPARGPPARAFFAR1PPARD

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