SCHEMBL5203737

SCHEMBL5203737

CS(=O)(=O)N(C(=O)OCc1ccccc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.47
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LIPE Q05469 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
SGMS2 Q8NHU3 2/20 0.41

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
Acetic Acid SCHEMBL6139684 0.97 CYP19A1 (0.48) CYP19A1BRD4ALDH1A1LIPEMAPT
SCHEMBL5206971 0.87 CYP19A1 (0.47) CYP19A1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6139688 0.82 CYP19A1 (0.45) CYP19A1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7606232 0.82 CYP19A1 (0.41) CYP19A1
SCHEMBL7606241 0.81 CYP19A1 (0.41) CYP19A1
SCHEMBL7611458 0.80 APP (0.42) CYP19A1ALDH1A1MAPTMAPK1
SCHEMBL7611451 0.80 APP (0.42) CYP19A1ALDH1A1MAPTMAPK1
SCHEMBL5205310 0.78 ALDH1A1 (0.40) CYP19A1ALDH1A1TDP1
SCHEMBL5205302 0.78 ALDH1A1 (0.40) CYP19A1ALDH1A1TDP1
SCHEMBL7467733 0.74 CYP19A1 (0.44) CYP19A1MAPTTDP1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed