SCHEMBL9512082

SCHEMBL9512082

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

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.76
TBXAS1 P24557 1/20 0.76
SGMS1 Q86VZ5 11/20 0.72
ALDH1A1 P00352 3/20 0.60
MAPT P10636 1/20 0.60
LMNA P02545 1/20 0.59
PTPN1 P18031 1/20 0.57
HTT P42858 1/20 0.56
POLB P06746 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL9510829 0.87 SGMS1 (0.64) TBXA2RTBXAS1SGMS1ALDH1A1LMNA
Sulotroban SCHEMBL34187 0.87 TBXA2R (1.00) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL9128396 0.84 SGMS1 (0.91) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL9512721 0.83 SGMS1 (0.53) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL11332922 0.82 TBXA2R (0.81) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL9127040 0.82 TBXA2R (0.81) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL9128409 0.81 SGMS1 (0.83) TBXA2RTBXAS1SGMS1ALDH1A1LMNA
Sulotroban SCHEMBL9585833 0.81 TBXA2R (0.79) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL30949337 0.81 SGMS1 (1.00) TBXA2RTBXAS1SGMS1ALDH1A1HTT
SCHEMBL9850373 0.80 TBXA2R (0.69) TBXA2RTBXAS1SGMS1ALDH1A1HTT

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP claimed
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed