SCHEMBL4726342

SCHEMBL4726342

CSc1ccc(-c2ccc(C)n2CCO/N=C(\C)c2ccc(OCC(=O)O)c(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.47
PPARA Q07869 9/20 0.47
PPARG P37231 8/20 0.47
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL4726347 0.81 PGR (0.46) PPARDPPARAPPARGPGRADORA3
SCHEMBL4730345 0.76 PPARG (0.53) PPARDPPARAPPARG
SCHEMBL4731801 0.72 PPARG (0.53) PPARDPPARAPPARG
SCHEMBL13305753 0.68 PPARD (0.59) PPARDPPARA
SCHEMBL4730674 0.68 PPARG (0.49) PPARDPPARAPPARGCHRM1
SCHEMBL4727702 0.67 PGR (0.51) PPARDPPARAPPARGPGRADORA3
SCHEMBL19892674 0.66 PGR (0.70) PPARDPPARAPPARGPGRADORA3
SCHEMBL18700271 0.66 PGR (0.50) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5423994 0.66 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5424009 0.66 PPARD (0.55) PPARDPPARAPPARG

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
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed