SCHEMBL9015472

SCHEMBL9015472

O=Cc1cc(Cc2cccnc2)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.74
TBXA2R P21731 7/20 0.48
HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL9015398 0.89 TBXAS1 (0.80) TBXAS1TBXA2RHDAC8
SCHEMBL9015400 0.89 TBXAS1 (0.80) TBXAS1TBXA2RHDAC8
SCHEMBL9255021 0.87 TBXAS1 (0.74) TBXAS1TBXA2RHDAC8
SCHEMBL9015436 0.83 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL7776190 0.81 TBXAS1 (0.52) TBXAS1TBXA2RHDAC8
SCHEMBL9256574 0.81 TBXAS1 (0.84) TBXAS1TBXA2R
SCHEMBL9015475 0.77 TBXA2R (0.52) TBXAS1TBXA2RHDAC8
SCHEMBL9015416 0.77 HDAC8 (0.52) TBXAS1TBXA2RHDAC8
SCHEMBL8105704 0.76 TBXA2R (0.48) TBXAS1TBXA2RHDAC8
SCHEMBL9255907 0.75 TBXAS1 (1.00) TBXAS1TBXA2R

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