SCHEMBL9630397

SCHEMBL9630397

CCC(=O)c1ccc(OCc2ccccc2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 2/20 0.49
PARP15 Q460N3 1/20 0.48
NR4A2 P43354 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
PTGES O14684 1/20 0.47
SMPD1 P17405 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 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
SCHEMBL7957255 0.86 MAOB (0.52) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7957251 0.86 MAOB (0.49) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL28256912 0.86 MAOB (0.65) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL9748049 0.86 MAOB (0.74) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL10750881 0.86 MAOB (0.74) MAOBSMN1; SMN2MAPTMAOA
Hydrochloric Acid SCHEMBL9440732 0.84 MAOB (0.58) MAOBSMN1; SMN2ALDH1A1HPGDNR4A2
SCHEMBL24379272 0.83 MAOB (0.58) MAOBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL28065631 0.83 ALDH1A1 (0.62) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL27731757 0.83 MAOB (0.58) MAOBRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL9440720 0.83 MAOB (0.57) MAOBRAB9ASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195608-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2019-01-11 CN disclosed
CN-102670617-B Application of ibuprofen 2-(2-arylmorpholine-4-yl) ethyl ester in preparation of antidepressant drugs UNIV HUNAN 2013-03-20 CN disclosed
CN-102670617-A Application of ibuprofen 2-(2-arylmorpholine-4-yl) ethyl ester in preparation of antidepressant drugs UNIV HUNAN 2012-09-19 CN disclosed
CN-101357901-B Chiral 1,4-dihydro-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic carboxylate, preparation method and application thereof UNIV HUNAN 2011-06-08 CN disclosed
CN-101357901-A Chiral 1,4-dihydro-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic carboxylate, preparation method and application thereof UNIV HUNAN (CN) 2009-02-04 CN disclosed
CN-100339371-C Novel aryloxy-alkyl-dialkylamines compound AMERICAN HOME PROD (US) 2007-09-26 CN disclosed
CN-1765891-A Novel aryloxy-alkyl-dialkylamines compound AMERICAN HOME PROD (US) 2006-05-03 CN disclosed
CN-1231458-C Novel aryloxy-alkyl-dialkylamines WYETH CORP (US) 2005-12-14 CN disclosed
CN-1281429-A Novel aryloxy-alkyl-dialkylamines AMERICAN HOME PROD (US) 2001-01-24 CN disclosed
US-5096929-A Inotropic agents; vasodilation CHIESI FARMACEUTICI S.P.A. (IT) 1992-03-17 US disclosed