SCHEMBL9364007

SCHEMBL9364007

O=C(O)Cc1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.69
HDAC8 Q9BY41 4/20 0.60
TBXAS1 P24557 6/20 0.53
HDAC6 Q9UBN7 1/20 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
SCHEMBL9452838 0.91 TBXA2R (0.83) TBXA2RHDAC8TBXAS1HDAC6
SCHEMBL9471812 0.91 TBXA2R (0.83) TBXA2RHDAC8
SCHEMBL9363708 0.88 TBXA2R (0.60) TBXA2RHDAC8TBXAS1
SCHEMBL9363437 0.87 TBXA2R (0.58) TBXA2RHDAC8TBXAS1
SCHEMBL9364413 0.86 TBXA2R (0.62) TBXA2RHDAC8TBXAS1
SCHEMBL10357238 0.83 HDAC8 (0.58) TBXA2RHDAC8TBXAS1HDAC6
SCHEMBL9833016 0.82 TBXA2R (0.65) TBXA2RHDAC8TBXAS1
SCHEMBL10406586 0.80 TBXA2R (0.65) TBXA2R
SCHEMBL10406924 0.80 TBXA2R (0.65) TBXA2R
SCHEMBL10405638 0.80 TBXA2R (0.65) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430459-B1 Tetrahydronaphthalene derivatives and preparation thereof TANABE SEIYAKU CO (JP) 1994-06-22 EP disclosed
US-5206418-A Thromboxan A2 antagonist TANABE SEIYAKU CO., LTD. (JP) 1993-04-27 US disclosed
US-5206428-A Anticoagulants TANABE SEIYAKU CO., LTD. (JP) 1993-04-27 US disclosed
EP-0430459-A1 Tetrahydronaphthalene derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 EP disclosed