SCHEMBL9007937

SCHEMBL9007937

N[C@@H](CCC(=O)N[C@@H](CSC(=O)c1cccs1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ GSTK1 Q9Y2Q3 1/20 0.54
▸ GLO1 Q04760 6/20 0.51
▸ MAPT P10636 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CTSL P07711 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LTA4H P09960 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
SCHEMBL9007852 1.00 PTGS1 (0.54) PTGS1GSTK1GLO1MAPTADAM17
SCHEMBL9007849 0.85 PTGS1 (0.59) PTGS1GSTK1GLO1LTA4H
SCHEMBL11869437 0.82 PTGS1 (0.54) PTGS1GSTK1GLO1MAPT
SCHEMBL11871343 0.82 PTGS1 (0.54) PTGS1GSTK1GLO1MAPT
SCHEMBL3280191 0.79 GLO1 (0.60) PTGS1GSTK1GLO1LTA4H
SCHEMBL3280199 0.79 GLO1 (0.60) PTGS1GSTK1GLO1LTA4H
SCHEMBL4230290 0.79 PTGS1 (0.57) PTGS1GSTK1GLO1LTA4H
SCHEMBL4230298 0.79 PTGS1 (0.57) PTGS1GSTK1GLO1LTA4H
SCHEMBL5332441 0.79 PTGS1 (0.68) PTGS1GSTK1GLO1
SCHEMBL5332446 0.79 PTGS1 (0.68) PTGS1GSTK1GLO1

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 4 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 claimed
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 claimed
EP-0536231-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 (IT) 1993-04-14 — — EP claimed
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 claimed
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