SCHEMBL9817253

SCHEMBL9817253

COC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O.COC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.76
GSTK1 Q9Y2Q3 1/20 0.76
GLO1 Q04760 2/20 0.54
NOD1 Q9Y239 10/20 0.45
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 1/20 0.41
FOLH1 Q04609 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL680902 1.00 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL10797351 1.00 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL19293565 0.91 PTGS1 (0.63) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL5934999 0.90 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL2153081 0.90 PTGS1 (0.76) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL6660255 0.90 PTGS1 (0.61) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL10490002 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA
Glutathione Ethyl Ester SCHEMBL7530345 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1
SCHEMBL13238890 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL2015568 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1NOD1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204589-B1 GLUTATHIONE MONOALKYL ESTER SULFATES AND PROCESS FOR THEIR PRODUCTION YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-11-06 EP disclosed
EP-0204589-A2 Glutathione monoalkyl ester sulfates and process for their production YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-12-10 EP disclosed