SCHEMBL4032979

SCHEMBL4032979

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3ccco3)oc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARA Q07869 11/20 0.45
PPARG P37231 11/20 0.45
POLB P06746 1/20 0.40
VDR P11473 1/20 0.39
PPARD Q03181 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4027454 0.93 PPARG (0.53) FFAR1PPARAPPARGPPARD
SCHEMBL4028592 0.88 FFAR1 (0.52) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4035125 0.88 FFAR1 (0.56) FFAR1PPARAPPARGVDRPPARD
SCHEMBL4027732 0.84 FFAR1 (0.55) FFAR1PPARAPPARGPOLBVDR
SCHEMBL4025597 0.84 FFAR1 (0.59) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4032676 0.84 PPARA (0.61) FFAR1PPARAPPARGPOLBPPARD
SCHEMBL4029556 0.83 PPARG (0.55) FFAR1PPARAPPARGPOLBMAPT
SCHEMBL4032217 0.83 FFAR1 (0.58) FFAR1PPARAPPARGPOLBVDR
SCHEMBL4028746 0.82 PPARA (0.61) FFAR1PPARAPPARGPOLBVDR
SCHEMBL4032032 0.82 FFAR1 (0.49) FFAR1PPARAPPARGPOLBMAPT

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