SCHEMBL6318573

SCHEMBL6318573

N#Cc1ccc(OCC(O)CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSS P25774 5/20 0.46
CTSL P07711 3/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCB1 P08183 1/20 0.46
HPGD P15428 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL5885684 0.86 ALDH1A1 (0.60) ITGB3ITGA2BMAPTL3MBTL1ADRB2
SCHEMBL7243564 0.83 MAOB (0.45) ITGB3ITGA2BMAOBMAPTL3MBTL1
SCHEMBL6315326 0.83 MAOB (0.45) ITGB3ITGA2BMAOBMAPTL3MBTL1
SCHEMBL5965505 0.81 ALDH1A1 (0.52) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL2956796 0.81 ALDH1A1 (0.52) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL15686273 0.81 ITGB3 (0.48) ITGB3ITGA2BMAPTL3MBTL1CTSS
SCHEMBL6259862 0.81 ABCB1 (0.58) MAPTADRB2ADRB1ADRB3ABCB1
SCHEMBL5019087 0.79 LMNA (0.61) L3MBTL1CTSSCTSLKMT2ASMN1; SMN2
SCHEMBL20640801 0.79 LMNA (0.57) CTSSCTSLKMT2ASMN1; SMN2HTT
SCHEMBL27109856 0.77 PLAU (0.60) MAOBMAPTL3MBTL1CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858562-B1 Catalyst for decomposing organic harmful substances and method for decomposing organic halides by use thereof MITSUI CHEMICALS, INC. (JP) 2005-02-22 US claimed
EP-1236510-A1 CATALYST FOR DECOMPOSING ORGANIC HAZARDOUS MATERIAL AND METHOD FOR DECOMPOSING ORGANIC HALIDES USING THE SAME Mitsui Chemicals, Inc. (JP) 2002-09-04 EP claimed
EP-0436311-B1 Improved catalytic process for the manufacture of copper phthalocyanine ACNA CHIMICA ORGANICA (IT) 1994-03-02 EP claimed
US-5138047-A Reacting phthaic anhydride, urea and copper or compound in hydrophobic liquid dispersant and promoter of amide, imide, urea, thiourea or guanidines ACNA CHIMICA ORGANICA S.P.A. (IT) 1992-08-11 US claimed
EP-0436311-A1 Improved catalytic process for the manufacture of copper phthalocyanine ACNA CHIMICA ORGANICA S.P.A. (IT) 1991-07-10 EP claimed
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-6858562-B1 Catalyst for decomposing organic harmful substances and method for decomposing organic halides by use thereof MITSUI CHEMICALS, INC. (JP) 2005-02-22 US disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1236510-A1 CATALYST FOR DECOMPOSING ORGANIC HAZARDOUS MATERIAL AND METHOD FOR DECOMPOSING ORGANIC HALIDES USING THE SAME Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-0436311-B1 Improved catalytic process for the manufacture of copper phthalocyanine ACNA CHIMICA ORGANICA (IT) 1994-03-02 EP disclosed
US-5138047-A Reacting phthaic anhydride, urea and copper or compound in hydrophobic liquid dispersant and promoter of amide, imide, urea, thiourea or guanidines ACNA CHIMICA ORGANICA S.P.A. (IT) 1992-08-11 US disclosed
EP-0436311-A1 Improved catalytic process for the manufacture of copper phthalocyanine ACNA CHIMICA ORGANICA S.P.A. (IT) 1991-07-10 EP disclosed
US-3998895-A PREPARATION OF POLYCHLOROALKENYL AROMATIC COMPOUNDS UOP INC. (US) 1976-12-21 US disclosed