SCHEMBL4028698

SCHEMBL4028698

CCC(C)OOC(=O)CCc1ccc(OCCc2nc(-c3ccc(Br)s3)oc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.52
PPARA Q07869 15/20 0.49
PPARD Q03181 7/20 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
SCHEMBL4032694 0.93 FFAR1 (0.49) PPARGPPARA
SCHEMBL4034248 0.92 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4032230 0.90 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL4030505 0.89 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4034306 0.88 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4034277 0.86 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4029556 0.85 PPARG (0.55) PPARGPPARA
SCHEMBL4026131 0.84 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4034971 0.83 FFAR1 (0.49) PPARGPPARA
SCHEMBL4201144 0.83 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