SCHEMBL9128686

SCHEMBL9128686

O=C(O)COc1cccc(CCNS(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.62
TBXAS1 P24557 2/20 0.62
SGMS1 Q86VZ5 5/20 0.61
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA9 Q16790 2/20 0.55
AKR1C3 P42330 2/20 0.53
IDO1 P14902 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL9813017 0.91 TBXA2R (0.75) TBXA2RTBXAS1SGMS1AKR1C3ALDH1A1
SCHEMBL9131783 0.90 SGMS1 (0.58) TBXA2RTBXAS1SGMS1CA12CA1
SCHEMBL10773786 0.90 TBXA2R (0.61) TBXA2RTBXAS1SGMS1AKR1C3ALDH1A1
SCHEMBL9812942 0.89 TBXA2R (0.62) TBXA2RTBXAS1SGMS1CA12CA1
SCHEMBL9127503 0.89 TBXA2R (0.69) TBXA2RTBXAS1SGMS1CA12CA1
SCHEMBL9129388 0.89 TBXA2R (0.62) TBXA2RTBXAS1SGMS1CA12CA1
SCHEMBL9835966 0.86 TBXA2R (0.61) TBXA2RTBXAS1SGMS1AKR1C3HTT
SCHEMBL9836463 0.86 TBXA2R (0.65) TBXA2RTBXAS1SGMS1CA12CA1
SCHEMBL9659360 0.86 TBXA2R (0.58) TBXA2RTBXAS1SGMS1CA12CA1
SCHEMBL9850438 0.85 HSD17B10 (0.61) SGMS1AKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US claimed
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
EP-0239907-A1 Phenoxyalkanecarboxylic-acid derivatives, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-10-07 EP disclosed