SCHEMBL5772689

SCHEMBL5772689

C=C(C)c1cc(S(C)(=O)=O)cc2c1cc1n2CCC1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.39
PTGDR Q13258 10/20 0.39
PTGER2 P43116 1/20 0.39
PDE2A O00408 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL5777074 0.84 S1PR1 (0.43) TBXA2RPTGDR2
SCHEMBL5777840 0.84 TBXA2R (0.46) TBXA2RPTGDRPDE2APTGDR2
SCHEMBL5836706 0.83
SCHEMBL5778068 0.76 TBXA2R (0.44) TBXA2RPTGDRPTGER2PDE2APTGDR2
SCHEMBL5774565 0.75 TBXA2R (0.57) TBXA2RPTGDRPTGER2PDE2APTGDR2
SCHEMBL5775903 0.75 TBXA2R (0.57) TBXA2RPTGDRPTGER2PDE2APTGDR2
SCHEMBL5776896 0.74 TBXA2R (0.52) TBXA2RPTGDRPTGER2PDE2APTGDR2
SCHEMBL5777130 0.73 S1PR1 (0.44) TBXA2RPTGDRPDE2A
SCHEMBL5776224 0.72 TBXA2R (0.42) TBXA2RPTGDRPDE2A
SCHEMBL2926749 0.72 TBXA2R (0.54) TBXA2RPTGDRPTGER2PTGDR2

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-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed