SCHEMBL3326939

SCHEMBL3326939

O=C1CO[C@H]2[C@H](O[N+](=O)[O-])CO[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.50
BCHE P06276 6/20 0.43
GSR P00390 8/20 0.35
CA2 P00918 2/20 0.34

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
SCHEMBL10550837 1.00 ALDH1A1 (0.59) ALDH1A1MAPTBCHEGSRCA2
SCHEMBL10741301 0.81 ALDH1A1 (0.56) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL9439417 0.76 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL1553054 0.76 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL19528695 0.76 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL8253 0.76 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL29532755 0.76 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
Isosorbide Dinitrate SCHEMBL309369 0.76 ALDH1A1 (1.00) ALDH1A1MAPTBCHEGSRCA2
SCHEMBL10699039 0.74 ALDH1A1 (0.47) ALDH1A1MAPTBCHEGSR
Isosorbide Dinitrate SCHEMBL714959 0.74 ALDH1A1 (0.95) ALDH1A1MAPTBCHEGSRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290885-A2 1,4:3,6-Dianhydrosorbitol 2-mono-nitrate and 5-mononitrate esters, a process for the preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1988-11-17 EP claimed
EP-1948183-B1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF HEART DISEASE AND METHODS OF USING SAME UNIV DUKE (US) 2013-12-18 EP disclosed
US-20100137284-A1 Compositions for the Treatment and Prevention of Heart Disease and Methods of Using Same STAMLER, JONATHAN S. 2010-06-03 US disclosed
EP-1948183-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF HEART DISEASE AND METHODS OF USING SAME Duke University (US) 2008-07-30 EP disclosed
US-20070208041-A1 Compositions for the treatment and prevention of heart disease and methods of using same PLATINUM LONG TERM GROWTH VI, LLC 2007-09-06 US disclosed
WO-2007044910-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF HEART DISEASE AND METHODS OF USING SAME DUKE UNIVERSITY (US) 2007-04-19 WO disclosed
US-4956384-A CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, VASODILATOR AGENTS, ANGINA CHIESI FARMACEUTICI S.P.A. (IT) 1990-09-11 US disclosed
EP-0290885-A2 1,4:3,6-Dianhydrosorbitol 2-mono-nitrate and 5-mononitrate esters, a process for the preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1988-11-17 EP disclosed