SCHEMBL4027344

SCHEMBL4027344

CCOOC(=O)CCc1ccc(OCc2nc(-c3cc4ccccc4s3)oc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PPARA Q07869 16/20 0.49
PPARG P37231 16/20 0.49
PPARD Q03181 3/20 0.41

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
SCHEMBL4030193 0.86 PPARG (0.58) FFAR1PPARAPPARG
SCHEMBL4030711 0.85 PPARA (0.67) FFAR1PPARAPPARGPPARD
SCHEMBL4030688 0.85 FFAR1 (0.50) FFAR1PPARAPPARGPPARD
SCHEMBL4025236 0.84 PPARA (0.64) FFAR1PPARAPPARGPPARD
SCHEMBL4029907 0.83 FFAR1 (0.52) FFAR1PPARAPPARG
SCHEMBL4031258 0.83 FFAR1 (0.52) FFAR1PPARAPPARG
SCHEMBL7903472 0.82 PPARG (0.55) FFAR1PPARAPPARGPPARD
SCHEMBL4027336 0.82 FFAR1 (0.59) FFAR1PPARAPPARGPPARD
SCHEMBL4034732 0.81 FFAR1 (0.58) FFAR1PPARAPPARGPPARD
SCHEMBL4031348 0.81 FFAR1 (0.55) FFAR1PPARAPPARGPPARD

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