SCHEMBL9015504

SCHEMBL9015504

O=C(O)C/C=C1/CC(NS(=O)(=O)c2ccc(Cl)cc2)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.53
HDAC8 Q9BY41 2/20 0.47
HTT P42858 1/20 0.43
TBXAS1 P24557 6/20 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
SCHEMBL9015505 1.00 TBXA2R (0.53) TBXA2RHDAC8HTTTBXAS1
SCHEMBL9252991 0.88 TBXA2R (0.46) TBXA2RHDAC8HTT
SCHEMBL9252986 0.88 TBXA2R (0.46) TBXA2RHDAC8HTT
SCHEMBL9015405 0.83 HDAC8 (0.50) TBXA2RHDAC8HTT
SCHEMBL9249630 0.83 HDAC8 (0.50) TBXA2RHDAC8HTT
SCHEMBL9015393 0.81 TBXA2R (0.48) TBXA2RHDAC8HTTTBXAS1
SCHEMBL9015391 0.81 TBXA2R (0.48) TBXA2RHDAC8HTTTBXAS1
SCHEMBL9248473 0.78 HDAC8 (0.45) TBXA2RHDAC8
SCHEMBL9248467 0.78 HDAC8 (0.45) TBXA2RHDAC8
SCHEMBL9834723 0.74 HDAC8 (0.54) TBXA2RHDAC8HTT

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