SCHEMBL4032694

SCHEMBL4032694

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
PPARG P37231 14/20 0.48
PPARA Q07869 14/20 0.48
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL4028698 0.93 PPARG (0.52) PPARGPPARA
SCHEMBL4029556 0.92 PPARG (0.55) FFAR1PPARGPPARAPOLBMAPT
SCHEMBL4034971 0.90 FFAR1 (0.49) FFAR1PPARGPPARAPOLBMAPT
SCHEMBL4032708 0.89 PPARG (0.63) FFAR1PPARGPPARA
SCHEMBL4029907 0.88 FFAR1 (0.52) FFAR1PPARGPPARAPOLBMAPT
SCHEMBL4032676 0.86 PPARA (0.61) FFAR1PPARGPPARAPOLBMAPT
SCHEMBL4034248 0.85 PPARG (0.61) PPARGPPARA
SCHEMBL4032230 0.83 PPARG (0.52) PPARGPPARA
SCHEMBL4025597 0.83 FFAR1 (0.59) FFAR1PPARGPPARAPOLBMAPT
SCHEMBL4028592 0.83 FFAR1 (0.52) FFAR1PPARGPPARAPOLBMAPT

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