SCHEMBL9813017

SCHEMBL9813017

O=C(O)COc1cccc(CCNS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.75
TBXAS1 P24557 2/20 0.75
AKR1C3 P42330 3/20 0.63
SGMS1 Q86VZ5 6/20 0.58
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PRMT1 Q99873 1/20 0.52

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
SCHEMBL9812947 0.93 TBXA2R (0.65) TBXA2RTBXAS1AKR1C3SGMS1TDP1
SCHEMBL9813009 0.92 TBXA2R (0.63) TBXA2RTBXAS1AKR1C3SGMS1TDP1
SCHEMBL9617068 0.91 SGMS1 (0.63) TBXA2RTBXAS1AKR1C3SGMS1ALDH1A1
SCHEMBL9128686 0.91 TBXA2R (0.62) TBXA2RTBXAS1AKR1C3SGMS1ALDH1A1
SCHEMBL9812942 0.91 TBXA2R (0.62) TBXA2RTBXAS1AKR1C3SGMS1ALDH1A1
SCHEMBL9127503 0.91 TBXA2R (0.69) TBXA2RTBXAS1AKR1C3SGMS1PRMT1
SCHEMBL9129388 0.91 TBXA2R (0.62) TBXA2RTBXAS1AKR1C3SGMS1ALDH1A1
SCHEMBL10773786 0.90 TBXA2R (0.61) TBXA2RTBXAS1AKR1C3SGMS1ALDH1A1
SCHEMBL10773841 0.90 ALDH1A1 (0.66) TBXA2RTBXAS1AKR1C3SGMS1ALDH1A1
SCHEMBL9836463 0.88 TBXA2R (0.65) TBXA2RTBXAS1AKR1C3SGMS1PRMT1

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-0239907-B1 PHENOXYALKANECARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-18 EP disclosed
EP-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP 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
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed