SCHEMBL9015501

SCHEMBL9015501

Cc1ccc2c(c1C=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.64
HDAC8 Q9BY41 2/20 0.51
TBXAS1 P24557 6/20 0.47
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL9015461 0.87 TBXA2R (0.54) TBXA2RHDAC8TBXAS1
SCHEMBL7777964 0.86 TBXA2R (0.54) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL8121810 0.86 TBXA2R (0.57) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL7777991 0.86 TBXA2R (0.53) TBXA2RHDAC8TBXAS1
SCHEMBL9015428 0.85 TBXA2R (0.66) TBXA2RHDAC8TBXAS1
SCHEMBL9015433 0.85 TBXA2R (0.66) TBXA2RHDAC8TBXAS1
SCHEMBL7779038 0.84 TBXA2R (0.53) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL9253104 0.84 TBXA2R (0.61) TBXA2RHDAC8TBXAS1
SCHEMBL9253108 0.84 TBXA2R (0.61) TBXA2RHDAC8TBXAS1
SCHEMBL17481100 0.82 TBXA2R (0.66) TBXA2RHDAC8TBXAS1PSEN1PSEN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103102292-B Method for quickly oxidizing primary alcohol into aldehyde without pollution SHANGHAI INST PHARM INDUSTRY 2015-05-20 CN disclosed
CN-103102292-A Method for quickly oxidizing primary alcohol into aldehyde without pollution SHANGHAI INST PHARM INDUSTRY 2013-05-15 CN disclosed
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
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed