SCHEMBL4028592

SCHEMBL4028592

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3ccc(C)o3)oc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARA Q07869 14/20 0.44
PPARG P37231 13/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL4032979 0.88 FFAR1 (0.52) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4026030 0.87 FFAR1 (0.55) FFAR1PPARAPPARGMAPT
SCHEMBL4025597 0.86 FFAR1 (0.59) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4029556 0.85 PPARG (0.55) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4027732 0.84 FFAR1 (0.55) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4032676 0.83 PPARA (0.61) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4032032 0.83 FFAR1 (0.49) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4028746 0.83 PPARA (0.61) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4034971 0.83 FFAR1 (0.49) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4032217 0.83 FFAR1 (0.58) FFAR1PPARAPPARGPOLB

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