SCHEMBL9015455

SCHEMBL9015455

Cc1ccc(S(=O)(=O)NC2CCc3c(CCC(=O)O)cccc3C2)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.81
TBXAS1 P24557 8/20 0.53
ALDH1A1 P00352 1/20 0.49
TSHR P16473 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
SCHEMBL9253596 0.90 TBXA2R (0.67) TBXA2RTBXAS1ALDH1A1TSHR
SCHEMBL527812 0.90 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL15052228 0.90 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL15052324 0.87 TBXA2R (0.77) TBXA2RTBXAS1
SCHEMBL9015441 0.81 TBXA2R (0.74) TBXA2RTBXAS1
SCHEMBL9257256 0.81 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1
SCHEMBL9248933 0.81 TBXA2R (0.80) TBXA2RTBXAS1
SCHEMBL527399 0.81 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL15078829 0.81 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL15052559 0.81 TBXA2R (0.62) TBXA2RTBXAS1ALDH1A1

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