SCHEMBL9128396

SCHEMBL9128396

O=C(COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1)Nc1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 11/20 0.91
TBXA2R P21731 1/20 0.76
TBXAS1 P24557 1/20 0.76
LMNA P02545 2/20 0.66
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL9128409 0.95 SGMS1 (0.83) SGMS1TBXA2RTBXAS1LMNAALDH1A1
Sulotroban SCHEMBL34187 0.86 TBXA2R (1.00) SGMS1TBXA2RTBXAS1ALDH1A1HTT
SCHEMBL9127040 0.84 TBXA2R (0.81) SGMS1TBXA2RTBXAS1ALDH1A1HTT
SCHEMBL11332922 0.84 TBXA2R (0.81) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9512082 0.84 TBXA2R (0.76) SGMS1TBXA2RTBXAS1LMNAALDH1A1
Sulotroban SCHEMBL9585833 0.83 TBXA2R (0.79) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9850373 0.82 TBXA2R (0.69) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9850614 0.82 TBXA2R (0.69) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL11364789 0.81 TBXA2R (0.68) SGMS1TBXA2RTBXAS1ALDH1A1HTT
SCHEMBL11364793 0.81 TBXA2R (0.68) SGMS1TBXA2RTBXAS1LMNAALDH1A1

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
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed
EP-0004011-A1 Phenoxyalkylcarboxylic-acid derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-09-19 EP disclosed