SCHEMBL9007876

SCHEMBL9007876

CCOC(=O)CNC(=O)[C@H](CSC(=O)c1ccccc1)NC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 3/20 0.46
▸ PTGS1 P23219 1/20 0.44
▸ GSTK1 Q9Y2Q3 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ NOD1 Q9Y239 4/20 0.39
▸ LTA4H P09960 3/20 0.38
▸ PPID Q08752 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL9007849 0.87 PTGS1 (0.59) GLO1PTGS1GSTK1NOD1LTA4H
SCHEMBL9007888 0.85 GLO1 (0.50) GLO1PTGS1GSTK1NOD1
SCHEMBL4452894 0.85 GLO1 (0.50) GLO1PTGS1GSTK1NOD1
SCHEMBL628352 0.80 GLO1 (0.49) GLO1PTGS1GSTK1NOD1
Bromide SCHEMBL20874163 0.80 GLO1 (0.46) GLO1PTGS1GSTK1ALDH1A1NOD1
Bromide SCHEMBL20874309 0.79 GLO1 (0.45) GLO1PTGS1GSTK1ALDH1A1NOD1
Bromide SCHEMBL20874322 0.79 GLO1 (0.47) GLO1PTGS1GSTK1NOD1
Bromide SCHEMBL20874235 0.79 GLO1 (0.46) GLO1PTGS1GSTK1NOD1LTA4H
Bromide SCHEMBL20874255 0.79 GLO1 (0.45) GLO1PTGS1GSTK1NOD1PPID
SCHEMBL19694411 0.79 GLO1 (0.42) GLO1PTGS1GSTK1ALDH1A1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536231-B1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES AND COMPOUNDS OBTAINED FROM SAID PROCESS BOEHRINGER MANNHEIM ITALIA (IT) 1996-10-23 — — EP disclosed
US-5382679-A Process for the preparation of glutathione S-acyl derivatives, compounds obtained from said process and an intermediate useful for the preparation thereof BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1995-01-17 — — US disclosed
WO-1992000320-A1 A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-01-09 — — WO disclosed
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