SCHEMBL4851690

SCHEMBL4851690

CN(C)CC(=O)OC(=O)[C@@H](N)CS.NCC(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SLC1A5 Q15758 1/20 0.30

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
SCHEMBL3075848 0.86 PTGS1 (0.43) PTGS1SLC7A11NOS3NOS1NOS2
Serine SCHEMBL4887746 0.83 PTGS1 (0.43) PTGS1SLC7A11NOS3NOS1NOS2
Cysteine SCHEMBL2597897 0.81 PTGS1 (0.59) PTGS1SLC7A11NOS3NOS1NOS2
SCHEMBL1514151 0.80 NOS3 (0.41) PTGS1SLC7A11NOS3NOS1NOS2
Cysteine SCHEMBL15417922 0.79 PTGS1 (0.42) PTGS1SLC7A11NOS3NOS1NOS2
Glycine SCHEMBL12500492 0.78 SLC1A5 (0.36) PTGS1SLC7A11NOS3NOS1NOS2
SCHEMBL16058499 0.77 PTGS1 (0.48) PTGS1SLC7A11NOS3NOS1NOS2
SCHEMBL352049 0.76 SLC1A5 (0.43) PTGS1SLC7A11NOS3NOS1NOS2
SCHEMBL3502798 0.76 SLC1A5 (0.43) PTGS1SLC7A11NOS3NOS1NOS2
SCHEMBL4752999 0.75 SLC1A5 (0.40) PTGS1SLC7A11NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320784-B1 Immobilized labeling compounds and methods BRACCO IMAGING S.P.A. (IT) 2008-01-22 US disclosed
EP-1047708-B1 PEPTIDE CHELATORS THAT PREDOMINATELY FORM A SINGLE STEREOISOMERIC SPECIES UPON COORDINATION TO A METAL CENTER BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-1154803-B1 IMMOBILIZED LABELING COMPOUNDS AND METHODS BRACCO INT BV (NL) 2004-11-17 EP disclosed
US-6334996-B1 RADIOLABELS FOR TARGETING SPECIFIC DIAGNOSTIC PHARMACEUTICALS RESOLUTION PHARMACEUTICALS INC. (CA) 2002-01-01 US disclosed
EP-1154803-A1 IMMOBILIZED LABELING COMPOUNDS AND METHODS Bracco International B.V. (NL) 2001-11-21 EP disclosed
EP-1047708-A1 PEPTIDE CHELATORS THAT PREDOMINATELY FORM A SINGLE STEREOISOMERIC SPECIES UPON COORDINATION TO A METAL CENTER RESOLUTION PHARMACEUTICALS INC. (CA) 2000-11-02 EP disclosed
WO-2000048639-A1 IMMOBILIZED LABELING COMPOUNDS AND METHODS RESOLUTION PHARMACEUTICALS INC. (CA) 2000-08-24 WO disclosed
EP-1007106-A1 COMBINATORIAL LIBRARY RESOLUTION PHARMACEUTICALS INC. (CA) 2000-06-14 EP disclosed
US-6017511-A USING A METAL CHELATOR COUPLED TO A GLYCOPEPTIDE ANTIBIOTIC FOR IMAGING SITES OF INFLAMMATION, PARTICULARLY THOSE CAUSED BY INFECTION, IN HUMANS RESOLUTION PHARMACEUTICALS INC. (CA) 2000-01-25 US disclosed
WO-1999033863-A1 PEPTIDE CHELATORS THAT PREDOMINATELY FORM A SINGLE STEREOISOMERIC SPECIES UPON COORDINATION TO A METAL CENTER RESOLUTION PHARMACEUTICALS INC. (CA) 1999-07-08 WO disclosed
WO-1999010016-A1 COMBINATORIAL LIBRARY RESOLUTION PHARMACEUTICALS INC. (CA) 1999-03-04 WO disclosed