SCHEMBL9015461

SCHEMBL9015461

Cc1cc2c(c(C=O)c1C)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.54
HDAC8 Q9BY41 2/20 0.49
TBXAS1 P24557 8/20 0.47

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
SCHEMBL9015501 0.87 TBXA2R (0.64) TBXA2RHDAC8TBXAS1
SCHEMBL9015426 0.86 TBXA2R (0.56) TBXA2RHDAC8TBXAS1
SCHEMBL9015431 0.86 TBXA2R (0.56) TBXA2RHDAC8TBXAS1
SCHEMBL9255994 0.86 TBXA2R (0.57) TBXA2RHDAC8TBXAS1
SCHEMBL9248630 0.84 TBXA2R (0.52) TBXA2RHDAC8TBXAS1
SCHEMBL9248625 0.84 TBXA2R (0.52) TBXA2RHDAC8TBXAS1
SCHEMBL9015440 0.83 TBXA2R (0.62) TBXA2RHDAC8TBXAS1
SCHEMBL9015465 0.83 TBXA2R (0.60) TBXA2RHDAC8TBXAS1
SCHEMBL9015475 0.83 TBXA2R (0.52) TBXA2RHDAC8TBXAS1
SCHEMBL9248492 0.81 TBXA2R (0.55) TBXA2RHDAC8TBXAS1

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