SCHEMBL9812933

SCHEMBL9812933

O=C(O)COc1cccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TPSAB1 Q15661 3/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA9 Q16790 2/20 0.54
TBXAS1 P24557 2/20 0.53
TBXA2R P21731 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
POLB P06746 1/20 0.51
AKR1C3 P42330 1/20 0.50
HTR7 P34969 1/20 0.50
CYP19A1 P11511 1/20 0.50
NPY1R P25929 1/20 0.49
NPY5R Q15761 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
SCHEMBL9812947 0.90 TBXA2R (0.65) ALDH1A1CA12CA1CA2CA4
SCHEMBL9813009 0.87 TBXA2R (0.63) ALDH1A1CA12CA1CA2CA4
SCHEMBL9813021 0.86 ALDH1A1 (0.62) ALDH1A1CA12CA1CA2CA4
SCHEMBL9813027 0.83 TBXAS1 (0.51) ALDH1A1CA12CA1CA2CA4
SCHEMBL9813017 0.83 TBXA2R (0.75) ALDH1A1TBXAS1TBXA2RPPARGPPARA
SCHEMBL13889020 0.83 ALDH1A1 (0.69) ALDH1A1TPSAB1POLBHTR7CYP19A1
SCHEMBL10772979 0.80 TBXA2R (0.57) TBXAS1TBXA2RPPARGPPARAAKR1C3
SCHEMBL9128686 0.79 TBXA2R (0.62) ALDH1A1CA12CA1CA2CA4
SCHEMBL9127503 0.79 TBXA2R (0.69) CA12CA1CA2CA4CA9
SCHEMBL9129388 0.79 TBXA2R (0.62) ALDH1A1CA12CA1CA2CA4

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