SCHEMBL4032217

SCHEMBL4032217

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3cccnc3)oc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
PPARG P37231 15/20 0.49
PPARA Q07869 12/20 0.49
POLB P06746 1/20 0.42
PPARD Q03181 3/20 0.42
VDR P11473 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
SCHEMBL4035964 0.93 PPARG (0.50) FFAR1PPARGPPARAPPARD
SCHEMBL4025597 0.90 FFAR1 (0.59) FFAR1PPARGPPARAPOLB
SCHEMBL4028453 0.88 FFAR1 (0.61) FFAR1PPARGPPARAPPARDVDR
SCHEMBL4027732 0.85 FFAR1 (0.55) FFAR1PPARGPPARAPOLBPPARD
SCHEMBL4028746 0.84 PPARA (0.61) FFAR1PPARGPPARAPOLBPPARD
SCHEMBL4032708 0.84 PPARG (0.63) FFAR1PPARGPPARAPPARD
SCHEMBL4026131 0.84 PPARG (0.61) FFAR1PPARGPPARAPPARD
SCHEMBL4032979 0.83 FFAR1 (0.52) FFAR1PPARGPPARAPOLBPPARD
SCHEMBL4028592 0.83 FFAR1 (0.52) FFAR1PPARGPPARAPOLB
SCHEMBL4032676 0.82 PPARA (0.61) FFAR1PPARGPPARAPOLBPPARD

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