SCHEMBL28284657

SCHEMBL28284657

O=C(O)CNC(=O)C(CS)NC(=O)CCC(NCCl)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
GSTK1 Q9Y2Q3 1/20 0.66
GLO1 Q04760 4/20 0.46
FOLH1 Q04609 2/20 0.46
NOD1 Q9Y239 2/20 0.39
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
GNPAT O15228 1/20 0.37
EPHX2 P34913 1/20 0.36
GLP1R P43220 3/20 0.35

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
SCHEMBL28862930 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1332941 0.91 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL993265 0.89 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL3388604 0.87 PTGS1 (0.66) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28337837 0.87 PTGS1 (0.66) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4657012 0.87 PTGS1 (0.66) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28502763 0.86 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL27490732 0.86 PTGS1 (0.72) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29559136 0.86 PTGS1 (0.72) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL6665444 0.85 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1

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
CN-109652402-A Coenzyme reduced glutathione regeneration method and enzyme electrode based on electrochemistry 浙江工业大学 2019-04-19 CN disclosed