SCHEMBL1369809

SCHEMBL1369809

O=[N+]([O-])c1ccc(O[C@H]2C(O)O[C@H](CO)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PMP22 Q01453 1/20 0.50
HK1 P19367 1/20 0.46
HK2 P52789 1/20 0.46
LGALS3 P17931 1/20 0.44
TYR P14679 1/20 0.44

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
SCHEMBL78953 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL6250991 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL384784 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL60404 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL149792 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL3630100 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL148556 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL1314276 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL869268 1.00 CYP1A2 (0.50) CYP1A2NFKB1THPOALDH1A1PMP22
D-Galactose SCHEMBL16275082 0.97 CYP1A2 (0.48) CYP1A2NFKB1THPOALDH1A1PMP22

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718459-A2 COMPETITION-BASED DETECTION ASSAYS Shire Human Genetic Therapies, Inc. (US) 2014-04-16 EP claimed
WO-2012170870-A2 COMPETITION BASED-DETECTION ASSAYS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2012-12-13 WO claimed
US-8236520-B2 Recombinant beta-galactosidase derived from Streptococcus pneumoniae KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-08-07 US claimed
US-20110287463-A1 RECOMBINANT BETA-GALACTOSIDASE DERIVED FROM STREPTOCOCCUS PNEUMONIAE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2011-11-24 US claimed
EP-0122023-A1 Microorganisms detection methods and the separation of agglutinated microorganisms, and a kit for use therein E-Y LABORATORIES, INC. (US) 1984-10-17 EP claimed
CN-104090095-B Molecular conjugate VENTANA MEDICAL SYSTEMS, INC. (US) 2016-06-01 CN disclosed
US-9023814-B2 Glycomimetic compounds as anti-infectious against pathogens lectins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-05-05 US disclosed
EP-2798075-A1 METHOD OF DETECTING A SALMONELLA MICROORGANISM 3M Innovative Properties Company (US) 2014-11-05 EP disclosed
WO-2014154806-A1 PROCESS FOR PREPARING PARTIALLY DEGALACTOSYLATED XYLOGLUCAN AND ITS USE FOR OILFIELD APPLICATIONS BASF SE (DE) 2014-10-02 WO disclosed
WO-2014154814-A1 METHOD FOR BLOCKING PERMEABLE ZONES IN OIL AND NATURAL GAS BEARING SUBTERRANEAN FORMATIONS BY IN-SITU XYLOGLUCAN DEGALACTOSYLATION BASF SE (DE) 2014-10-02 WO disclosed
EP-2649085-B1 GLYCOMIMETIC COMPOUNDS AS ANTI-INFECTIOUS AGAINST PATHOGENS LECTINS CENTRE NAT RECH SCIENT (FR) 2014-08-20 EP disclosed
EP-2723885-A2 METHOD FOR CLASSIFYING THE PRESENCE OR ABSENCE OF A MICROORGANISM IN A BIOLOGICAL MEDIUM Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2014-04-30 EP disclosed
US-5194425-A MHC-MEDIATED TOXIC CONJUGATES USEFUL IN AMELIORATING AUTOIMMUNITY ANERGEN, INC. (US) 1993-03-16 US disclosed
EP-0423201-A4 MHC-MEDIATED TOXIC CONJUGATES USEFUL IN AMELIORATING AUTOIMMUNITY 1992-10-14 EP disclosed
US-5130297-A Conjugates useful in ameliorating autoimmunity MHC-II-peptide ANERGEN, INC. (US) 1992-07-14 US disclosed
WO-1991019000-A1 A MONOCLONAL ANTIBODY AGAINST THE GAG PROTEIN PRECURSOR p55 OF HUMAN IMMUNODEFICIENCY VIRUS GRUPPO LEPETIT S.P.A. (IT) 1991-12-12 WO disclosed
EP-0423201-A1 MHC-MEDIATED TOXIC CONJUGATES USEFUL IN AMELIORATING AUTOIMMUNITY. BIOSPAN CORP (US) 1991-04-24 EP disclosed
WO-1989012459-A1 MHC-MEDIATED TOXIC CONJUGATES USEFUL IN AMELIORATING AUTOIMMUNITY BIOSPAN CORPORATION (US) 1989-12-28 WO disclosed
EP-0304291-A1 Dosage form using an antagonist to gamma interferon to control MHC-associated autoimmune disease THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1989-02-22 EP disclosed
EP-0122023-A1 Microorganisms detection methods and the separation of agglutinated microorganisms, and a kit for use therein E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed