SCHEMBL7777970

SCHEMBL7777970

O=C(O)CCc1c(OCCO)ccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.71
TBXAS1 P24557 10/20 0.53
HDAC8 Q9BY41 2/20 0.46

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
SCHEMBL8120060 0.91 TBXA2R (0.62) TBXA2RTBXAS1HDAC8
SCHEMBL7778006 0.89 TBXA2R (0.66) TBXA2RTBXAS1HDAC8
SCHEMBL9249635 0.85 TBXA2R (0.75) TBXA2RTBXAS1HDAC8
SCHEMBL7771697 0.84 TBXA2R (0.78) TBXA2RTBXAS1HDAC8
Terutroban SCHEMBL1896773 0.83 TBXA2R (1.00) TBXA2RTBXAS1HDAC8
Terutroban SCHEMBL43629 0.83 TBXA2R (1.00) TBXA2RTBXAS1HDAC8
Terutroban SCHEMBL29378918 0.83 TBXA2R (1.00) TBXA2RTBXAS1HDAC8
SCHEMBL7777976 0.83 TBXA2R (0.52) TBXA2RTBXAS1HDAC8
SCHEMBL9246542 0.82 TBXA2R (0.79) TBXA2RTBXAS1HDAC8
SCHEMBL7776200 0.82 TBXA2R (0.76) TBXA2RTBXAS1HDAC8

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 2 patents. 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
EP-0864561-A1 Benzenesulfonylamine derivatives,process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-16 EP disclosed