SCHEMBL9812947

SCHEMBL9812947

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.65
TBXAS1 P24557 2/20 0.65
ALDH1A1 P00352 3/20 0.60
PPARA Q07869 2/20 0.57
PPARG P37231 1/20 0.57
AKR1C3 P42330 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
SGMS1 Q86VZ5 3/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49
PTGIR P43119 1/20 0.49

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
SCHEMBL9813009 0.96 TBXA2R (0.63) TBXA2RTBXAS1ALDH1A1PPARAPPARG
SCHEMBL9813017 0.93 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1PPARAPPARG
SCHEMBL9813021 0.91 ALDH1A1 (0.62) TBXA2RTBXAS1ALDH1A1PPARAPPARG
SCHEMBL9812933 0.90 ALDH1A1 (0.61) TBXA2RTBXAS1ALDH1A1PPARAPPARG
SCHEMBL9813027 0.88 TBXAS1 (0.51) TBXA2RTBXAS1ALDH1A1PPARAPPARG
SCHEMBL11358325 0.86 TBXA2R (0.85) TBXA2RTBXAS1ALDH1A1TDP1TP53
SCHEMBL9812978 0.85 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1PPARAPPARG
SCHEMBL9617068 0.84 SGMS1 (0.63) TBXA2RTBXAS1ALDH1A1AKR1C3SGMS1
SCHEMBL9127503 0.84 TBXA2R (0.69) TBXA2RTBXAS1AKR1C3SGMS1CA12
SCHEMBL9128686 0.84 TBXA2R (0.62) TBXA2RTBXAS1ALDH1A1AKR1C3SGMS1

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-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP claimed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP claimed
EP-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP disclosed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed