SCHEMBL9812942

SCHEMBL9812942

Nc1ccc(S(=O)(=O)NCCc2cccc(OCC(=O)O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.62
TBXAS1 P24557 1/20 0.62
PRMT1 Q99873 2/20 0.61
SGMS1 Q86VZ5 7/20 0.54
F2 P00734 2/20 0.53
PLG P00747 1/20 0.53
AKR1C3 P42330 2/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PPARG P37231 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
SCHEMBL9813017 0.91 TBXA2R (0.75) TBXA2RTBXAS1PRMT1SGMS1AKR1C3
SCHEMBL9128686 0.89 TBXA2R (0.62) TBXA2RTBXAS1SGMS1AKR1C3ALDH1A1
SCHEMBL9129388 0.89 TBXA2R (0.62) TBXA2RTBXAS1SGMS1AKR1C3ALDH1A1
SCHEMBL9127503 0.89 TBXA2R (0.69) TBXA2RTBXAS1PRMT1SGMS1F2
SCHEMBL9836463 0.86 TBXA2R (0.65) TBXA2RTBXAS1PRMT1SGMS1F2
SCHEMBL9659360 0.86 TBXA2R (0.58) TBXA2RTBXAS1SGMS1F2PLG
SCHEMBL9835966 0.86 TBXA2R (0.61) TBXA2RTBXAS1SGMS1F2PLG
SCHEMBL10772979 0.84 TBXA2R (0.57) TBXA2RTBXAS1PRMT1SGMS1F2
SCHEMBL9812947 0.84 TBXA2R (0.65) TBXA2RTBXAS1SGMS1AKR1C3ALDH1A1
SCHEMBL10773841 0.83 ALDH1A1 (0.66) TBXA2RTBXAS1SGMS1AKR1C3ALDH1A1

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 2 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 disclosed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed