SCHEMBL23966810

SCHEMBL23966810

CC(N)CCC(=O)NC(C[S+]([O-])SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
GSTK1 Q9Y2Q3 1/20 0.56
GLO1 Q04760 5/20 0.55
NOD1 Q9Y239 6/20 0.38
FOLH1 Q04609 1/20 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
SCHEMBL21953261 0.95 PTGS1 (0.61) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL25639960 0.95 PTGS1 (0.61) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL21837288 0.85 PTGS1 (0.65) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL22015828 0.82 PTGS1 (0.64) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL22015660 0.82 PTGS1 (0.64) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL20077231 0.81 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL20077213 0.81 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
S-Methylglutathione SCHEMBL1767369 0.80 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
S-Methylglutathione SCHEMBL13948109 0.80 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FOLH1
S-Methylglutathione SCHEMBL13157330 0.80 PTGS1 (0.71) 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
EP-3600557-B1 PHARMACEUTICAL COMPOSITION COMPRISING GLUTATIONE DISULFIDE AND GLUTATHIONE DISULFIDE S-OXIDE OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOSTJU IVA FARM (RU) 2021-11-03 EP disclosed