SCHEMBL9812957

SCHEMBL9812957

O=C(O)COc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.67
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA9 Q16790 3/20 0.52
NAMPT P43490 2/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
ADAM17 P78536 1/20 0.48
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
AR P10275 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9659360 0.89 TBXA2R (0.58) CYP19A1CA12CA1CA2CA4
SCHEMBL9661159 0.87 CYP19A1 (0.65) CYP19A1CA12CA1CA2CA4
SCHEMBL9813027 0.87 TBXAS1 (0.51) CYP19A1CA12CA1CA2CA4
SCHEMBL9812978 0.87 TBXA2R (0.60) CYP19A1CA12CA1CA2CA4
SCHEMBL7327586 0.82 EPHX2 (0.58) LMNAARMEN1KMT2A
SCHEMBL9813032 0.80 CTSL (0.46) CYP19A1CA12CA1CA2CA4
SCHEMBL9813030 0.80 CTSL (0.46) CYP19A1CA12CA1CA2CA4
SCHEMBL9129363 0.80 TBXA2R (0.57) CA12CA1CA2CA4CA9
SCHEMBL9813031 0.78 CYP19A1 (0.82) CYP19A1CA1CA2NAMPTLMNA
SCHEMBL1753546 0.78 PTGDR2 (0.67) CYP19A1LMNARAB9A

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