SCHEMBL7776213

SCHEMBL7776213

C=Cc1ccc2c(c1CCC(=O)O)CCC(NS(=O)(=O)c1ccc(F)cc1)C2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.62
PTGDR2 Q9Y5Y4 4/20 0.49
PTGDR Q13258 3/20 0.49
ABCB11 O95342 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD1 P21728 1/20 0.49
CCKAR P32238 1/20 0.49
TBXAS1 P24557 8/20 0.46
RB1 P06400 1/20 0.43

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
SCHEMBL7778008 0.91 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL8115716 0.90 TBXA2R (0.53) TBXA2RPTGDR2PTGDRABCB11CYP2C9
SCHEMBL9247892 0.87 TBXA2R (0.82) TBXA2RPTGDR2PTGDRABCB11CYP2C9
SCHEMBL7778079 0.82 TBXA2R (0.69) TBXA2RTBXAS1
SCHEMBL8118452 0.81 TBXA2R (0.65) TBXA2RTBXAS1
SCHEMBL15052228 0.81 TBXA2R (0.81) TBXA2RPTGDR2PTGDRABCB11CYP2C9
SCHEMBL8120505 0.80 TBXA2R (0.61) TBXA2RTBXAS1
SCHEMBL7776165 0.80 TBXA2R (0.56) TBXA2RPTGDR2PTGDRABCB11CYP2C9
SCHEMBL12675846 0.77 TBXA2R (0.82) TBXA2RPTGDR2PTGDRABCB11CYP2C9
Terutroban SCHEMBL43629 0.77 TBXA2R (1.00) TBXA2RTBXAS1

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-0864561-B1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed