SCHEMBL5812466

SCHEMBL5812466

CS(=O)(=O)c1cc(S(C)(=O)=O)c2c(Sc3ccc(Cl)cc3)c3n(c2c1)CCC3CC(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.82
PTGDR Q13258 6/20 0.67
PDE2A O00408 3/20 0.67

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
SCHEMBL5774518 0.90 TBXA2R (0.81) TBXA2RPTGDRPDE2A
SCHEMBL5777289 0.90 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5800203 0.90 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5776492 0.89 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL5835535 0.89 TBXA2R (0.77) TBXA2RPTGDR
SCHEMBL5775019 0.86 TBXA2R (0.85) TBXA2RPTGDRPDE2A
SCHEMBL6690976 0.85 TBXA2R (0.90) TBXA2RPTGDRPDE2A
SCHEMBL5776530 0.85 TBXA2R (0.73) TBXA2RPTGDRPDE2A
SCHEMBL5836363 0.82 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL5777685 0.82 TBXA2R (0.74) TBXA2RPTGDRPDE2A

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