Oxiglutatione

Oxiglutatione

SCHEMBL18744121

N[C@@H](CCC(=O)NC(CSSCC(NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSR

The experimentally established mechanism targets of Oxiglutatione. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR known ✓ P00390 1/20 0.42
PTGS1 P23219 1/20 0.73
GSTK1 Q9Y2Q3 1/20 0.73
GLO1 Q04760 4/20 0.64
NOD1 Q9Y239 5/20 0.45
FOLH1 Q04609 2/20 0.43
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GRIA4 P48058 1/20 0.42

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
Oxiglutatione SCHEMBL4362052 1.00 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL138746 1.00 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL13561367 1.00 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL19579378 1.00 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL16377441 1.00 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL1533892 1.00 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL15475331 0.99 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL1230605 0.99 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL29386974 0.99 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL13930989 0.97 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed