SCHEMBL9015441

SCHEMBL9015441

Cc1cc(CCC(=O)O)c2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)CC2

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.74
TBXAS1 P24557 11/20 0.67
HDAC8 Q9BY41 2/20 0.49

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
SCHEMBL9255961 0.91 TBXA2R (0.61) TBXA2RTBXAS1HDAC8
SCHEMBL9257256 0.90 TBXA2R (0.60) TBXA2RTBXAS1HDAC8
SCHEMBL7458325 0.89 TBXA2R (0.74) TBXA2RTBXAS1HDAC8
SCHEMBL7467932 0.88 TBXAS1 (0.73) TBXA2RTBXAS1HDAC8
SCHEMBL7462070 0.87 TBXAS1 (0.64) TBXA2RTBXAS1HDAC8
SCHEMBL9015407 0.87 TBXA2R (0.59) TBXA2RTBXAS1HDAC8
SCHEMBL7468936 0.87 TBXA2R (0.72) TBXA2RTBXAS1HDAC8
SCHEMBL7776162 0.87 TBXAS1 (0.72) TBXA2RTBXAS1HDAC8
SCHEMBL7463923 0.87 TBXAS1 (0.72) TBXA2RTBXAS1HDAC8
SCHEMBL8658691 0.87 TBXAS1 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648741-B1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR (FR) 1996-12-18 EP disclosed
US-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed
EP-0648741-A1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR ET COMPAGNIE (FR) 1995-04-19 EP disclosed