SCHEMBL7467733

SCHEMBL7467733

CC(C)(C)OC(=O)N(c1cc(O)ccc1OCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.44
ELANE P08246 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 2/20 0.39
EGFR P00533 1/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL3287375 0.90 KEAP1 (0.42) CYP19A1ELANEL3MBTL1CYP2C9EGFR
SCHEMBL5681907 0.88 HPGD (0.39) CYP19A1ELANEL3MBTL1EGFRF2
SCHEMBL5206971 0.87 CYP19A1 (0.47) CYP19A1ELANEL3MBTL1CYP2C9EGFR
SCHEMBL5203170 0.87 NPC1 (0.38) CYP19A1L3MBTL1EGFRSMN1; SMN2APP
SCHEMBL8817183 0.85 NQO2 (0.40) ELANEL3MBTL1F2MAPTSMN1; SMN2
SCHEMBL1934979 0.82 GPBAR1 (0.45) CYP19A1L3MBTL1
SCHEMBL5203422 0.81 MEN1 (0.40) CYP19A1MAPTSMN1; SMN2TDP1APP
SCHEMBL3142761 0.81 MEN1 (0.40) CYP19A1MAPTSMN1; SMN2TDP1APP
SCHEMBL3142767 0.81 MEN1 (0.40) CYP19A1MAPTSMN1; SMN2TDP1APP
SCHEMBL3286247 0.77 KEAP1 (0.43) F2

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-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed
CN-1159797-A Aryloxy and arylthiopropanolamine derivative suseful as beta 3-adrenoreceptor agonists and antagonists of the beta 1 and beta 2-adrenoreceptors and pharmaceutical composition thereof SMITHKLINE BEECHAM PLC (GB) 1997-09-17 CN disclosed