SCHEMBL7606232

SCHEMBL7606232

CS(=O)(=O)N(C(=O)OCc1ccccc1)c1cc(C(O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.41
ACP1 P24666 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN13 Q12923 1/20 0.39
SSU72 Q9NP77 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
FOLH1 Q04609 1/20 0.37
APP P05067 3/20 0.36

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
SCHEMBL14090694 0.87 CYP19A1 (0.45) CYP19A1ACP1PTPN12PTPN13SSU72
SCHEMBL7606241 0.87 CYP19A1 (0.41) CYP19A1ACP1PTPN12PTPN13SSU72
SCHEMBL7607722 0.84 CYP19A1 (0.37) CYP19A1ACP1PTPN12PTPN13SSU72
SCHEMBL964883 0.83 L3MBTL1 (0.44) CYP19A1ACP1PTPN12PTPN13SSU72
SCHEMBL964882 0.83 L3MBTL1 (0.44) CYP19A1ACP1PTPN12PTPN13SSU72
SCHEMBL5206971 0.82 CYP19A1 (0.47) CYP19A1
SCHEMBL5203737 0.82 CYP19A1 (0.47) CYP19A1
SCHEMBL7609985 0.81 ADRB3 (0.34) CYP19A1
Acetic Acid SCHEMBL6139684 0.80 CYP19A1 (0.48) CYP19A1
SCHEMBL6139688 0.78 CYP19A1 (0.45) CYP19A1

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed