SCHEMBL72994

SCHEMBL72994

O=c1c(-c2ccccc2O)coc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.65
MAOB P27338 9/20 0.54
MAOA P21397 8/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
USP2 O75604 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NISCH Q9Y2I1 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTPN1 P18031 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL11573719 0.87 MIF (0.49) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL232753 0.83 KDM4E (0.74) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL76091 0.81 MAOB (0.61) MIFMAOBMAOAKDM4EALDH1A1
Benzene SCHEMBL29096007 0.79 MAOB (0.62) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL311201 0.79 MAOB (0.71) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL13840363 0.79 MIF (1.00) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL9387217 0.79 MIF (0.53) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL2854132 0.79 MIF (0.53) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL13267885 0.79 NMUR2 (0.55) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL13268057 0.79 KDM4E (0.68) MIFMAOBMAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890405-B2 Recombinant bacterial cells producing (S)-2-amino-6-hydroxypimelate BIOAMBER INC. (US) 2018-02-13 US disclosed
US-20150203879-A1 Methods and Microorganisms for the Biological Synthesis of (S) -2-amino-6-hydroxypimelate, Hexamethylenediamine and 6-aminocaproate LCY BIOSCIENCES INC. (CA) 2015-07-23 US disclosed
EP-2888356-A1 METHODS AND MICROORGANISMS FOR THE BIOLOGICAL SYNTHESIS OF (S)-2-AMINO-6-HYDROXYPIMELATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROATE Bioamber Inc. (US) 2015-07-01 EP disclosed
WO-2014031724-A1 METHODS AND MICROORGANISMS FOR THE BIOLOGICAL SYNTHESIS OF (S)-2-AMINO-6-HYDROXYPIMELATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROATE BIOAMBER INC. (US) 2014-02-27 WO disclosed
US-8129592-B2 Plant isoflavonoid hydroxylases and methods of use thereof THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2012-03-06 US disclosed
US-20090142471-A1 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF NOBLE RESEARCH INSTITUTE, LLC 2009-06-04 US disclosed
US-7442851-B2 Plant isoflavonoid hydroxylases and methods of use thereof THE SAMUEL ROBERTS NOBLE FOUNDATION (US) 2008-10-28 US disclosed
EP-1720986-A2 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2006-11-15 EP disclosed
US-20050172354-A1 Plant isoflavonoid hydroxylases and methods of use thereof THE SAMUEL ROBERT NOBLE FOUNDATION 2005-08-04 US disclosed
WO-2005042747-A2 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2005-05-12 WO disclosed
US-20020177527-A1 Methods for the identification of inhibitors of 2'-hydroxyisoflavone reductase expression or activity in plants ICORIA, INC. 2002-11-28 US disclosed
WO-2002092776-A2 METHODS FOR THE INDENTIFICATION OF INHIBITORS OF 2-HYDROXYISOFLAVONE REDUCTASE EXPRESSION OR ACTIVITY IN PLANTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO disclosed