SCHEMBL4027732

SCHEMBL4027732

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3ccccn3)oc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
PPARA Q07869 10/20 0.47
PPARG P37231 10/20 0.47
FAAH O00519 2/20 0.42
CES1 P23141 1/20 0.41
MAPT P10636 1/20 0.40
VDR P11473 1/20 0.40
POLB P06746 1/20 0.40
PPARD Q03181 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
SCHEMBL4034732 0.88 FFAR1 (0.58) FFAR1PPARAPPARGFAAHCES1
SCHEMBL4025597 0.86 FFAR1 (0.59) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4032217 0.85 FFAR1 (0.58) FFAR1PPARAPPARGVDRPOLB
SCHEMBL4032979 0.84 FFAR1 (0.52) FFAR1PPARAPPARGMAPTVDR
SCHEMBL4028592 0.84 FFAR1 (0.52) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4032676 0.84 PPARA (0.61) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4029556 0.83 PPARG (0.55) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4032708 0.83 PPARG (0.63) FFAR1PPARAPPARGPPARD
SCHEMBL4028746 0.82 PPARA (0.61) FFAR1PPARAPPARGMAPTVDR
SCHEMBL4032032 0.82 FFAR1 (0.49) FFAR1PPARAPPARGMAPTPOLB

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