SCHEMBL9015454

SCHEMBL9015454

O=C(O)c1c(I)ccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.60
HDAC8 Q9BY41 4/20 0.54
TBXAS1 P24557 5/20 0.47
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL9015468 0.87 TBXA2R (0.70) TBXA2RHDAC8TBXAS1
SCHEMBL9247878 0.86 TBXA2R (0.58) TBXA2RHDAC8TBXAS1
SCHEMBL9015411 0.84 TBXA2R (0.60) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL7776609 0.84 TBXA2R (0.59) TBXA2RHDAC8TBXAS1
SCHEMBL7777964 0.82 TBXA2R (0.54) TBXA2RHDAC8TBXAS1PSEN1PSEN2
SCHEMBL9015465 0.81 TBXA2R (0.60) TBXA2RHDAC8TBXAS1
SCHEMBL9015509 0.79 TBXA2R (0.55) TBXA2RHDAC8TBXAS1
SCHEMBL9253927 0.79 TBXA2R (0.65) TBXA2RHDAC8TBXAS1
SCHEMBL7776067 0.77 TBXA2R (0.52) TBXA2RHDAC8TBXAS1
SCHEMBL9255293 0.77 TBXA2R (0.56) 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 2 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
EP-0648741-A1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR ET COMPAGNIE (FR) 1995-04-19 EP disclosed