SCHEMBL865686

SCHEMBL865686

O=C(ON1C(=O)C=CC1=O)C(=O)ON1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
BLM P54132 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
MGLL Q99685 9/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
PTGS1 P23219 5/20 0.33
PTGS2 P35354 5/20 0.33
FAAH O00519 3/20 0.33
DDAH1 O94760 1/20 0.32
NSD2 O96028 1/20 0.32
G6PD P11413 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL3694468 0.84 ALDH1A1 (0.33) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL5071662 0.83 ALDH1A1 (0.35) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL9516285 0.82 ALDH1A1 (0.39) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL2168937 0.81 DDAH1 (0.35) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL4394188 0.81 ALDH1A1 (0.34) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL24741303 0.80 ALDH1A1 (0.32) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL9443365 0.80
SCHEMBL21449752 0.79 ALDH1A1 (0.33) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL6022398 0.79 NQO1 (0.34) ALDH1A1BLMCYP1A2HPGDCYP2C19
SCHEMBL208215 0.79 ALDH1A1 (0.38) ALDH1A1BLMCYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077279-A1 Silica Nanoparticles Incorporating Chemiluminescent And Absorbing Active Molecules CORNELL UNIVERSITY (US) 2012-03-29 US disclosed
EP-2384318-A2 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2011-11-09 EP disclosed
WO-2010121066-A2 SILICA NANOPARTICLES INCORPORATING CHEMILUMINESCENT AND ABSORBING ACTIVE MOLECULES CORNELL RESEARCH FOUNDATION, INC. (US) 2010-10-21 WO disclosed
WO-2010078449-A2 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2010-07-08 WO disclosed
EP-1061904-A1 NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME Aventis Research & Technologies GmbH & Co KG (DE) 2000-12-27 EP disclosed
WO-1999047130-A1 NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-09-23 WO disclosed