SCHEMBL9812978

SCHEMBL9812978

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.60
TBXAS1 P24557 1/20 0.60
KEAP1 Q14145 1/20 0.56
FFAR1 O14842 1/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA9 Q16790 2/20 0.53
CYP19A1 P11511 4/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SGMS1 Q86VZ5 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
SCHEMBL9661159 0.90 CYP19A1 (0.65) TBXA2RTBXAS1FFAR1CA12CA1
SCHEMBL9813017 0.87 TBXA2R (0.75) TBXA2RTBXAS1MAPTHDAC2HDAC8
SCHEMBL9812957 0.87 CYP19A1 (0.67) CA12CA1CA2CA4CA9
SCHEMBL9812947 0.85 TBXA2R (0.65) TBXA2RTBXAS1CA12CA1CA2
SCHEMBL11335798 0.85 TBXA2R (0.76) TBXA2RTBXAS1KEAP1CA12CA1
SCHEMBL9813009 0.84 TBXA2R (0.63) TBXA2RTBXAS1CA12CA1CA2
SCHEMBL5725662 0.84 PPARA (0.54) FFAR1CA12CA1CA2CA4
SCHEMBL4662858 0.81 CYP19A1 (0.74) KEAP1CYP19A1MAPTALDH1A1
SCHEMBL21048461 0.80 KEAP1 (0.81) KEAP1CA12CA1CA2CA9
SCHEMBL9617068 0.79 SGMS1 (0.63) TBXA2RTBXAS1LMNAALDH1A1SGMS1

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