SCHEMBL4026183

SCHEMBL4026183

CCOC(CCc1ccc(OCCn2c(C)ccc2-c2ccc(C)s2)cc1)OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
PPARG P37231 12/20 0.37
PPARA Q07869 14/20 0.35
PPARD Q03181 1/20 0.33

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
SCHEMBL4028898 0.83 PGR (0.44) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026124 0.82 PGR (0.42) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026186 0.80 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4029566 0.78 DRD3 (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4032669 0.78 PGR (0.43) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4029777 0.77 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076658 0.76 PGR (0.57) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL1338276 0.76 PGR (0.67) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4028900 0.76 PGR (0.48) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026152 0.76 PGR (0.46) PGRADORA3CHRM1TBXA2RPTGS1

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