SCHEMBL4201144

SCHEMBL4201144

CCC(C)OOC(=O)CCc1ccc(OCCCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.58
PPARA Q07869 14/20 0.58
PPARD Q03181 5/20 0.53
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR1 O14842 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
SCHEMBL4034277 0.97 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4032676 0.92 PPARA (0.61) PPARGPPARAPPARDMAPTFFAR1
SCHEMBL4028994 0.88 PPARA (0.61) PPARGPPARAPPARDMAPTFFAR1
SCHEMBL4034248 0.85 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4027762 0.85 PPARG (0.66) PPARGPPARAPPARDMAPTFFAR1
SCHEMBL4032530 0.83 PPARG (0.52) PPARGPPARAPPARDFFAR1
SCHEMBL4031954 0.83 PPARG (0.62) PPARGPPARAPPARDFFAR1
SCHEMBL4030505 0.83 PPARG (0.64) PPARGPPARAPPARDFFAR1
SCHEMBL4026131 0.83 PPARG (0.61) PPARGPPARAPPARDFFAR1
SCHEMBL4032230 0.83 PPARG (0.52) 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