SCHEMBL9448472

SCHEMBL9448472

N[C@@H](CCC(=O)O)C(=O)N[C@@H](CSC(=O)c1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ GLO1 Q04760 4/20 0.39
▸ LTA4H P09960 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ GPR139 Q6DWJ6 1/20 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
SCHEMBL9448488 0.93 PTGS1 (0.40) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL9007849 0.87 PTGS1 (0.59) PTGS1GSTK1GLO1LTA4H
SCHEMBL10940533 0.82 CTSL (0.46) —
SCHEMBL10940525 0.82 CTSL (0.46) —
SCHEMBL9448510 0.81 PTGS1 (0.46) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL30751950 0.80 NAALAD2 (0.51) LTA4H
SCHEMBL1683015 0.78 GLO1 (0.45) PTGS1GSTK1GLO1LTA4HDPP4
SCHEMBL29484218 0.78 CDC25B (0.51) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL29384215 0.77 PTGS1 (0.55) PTGS1GSTK1GLO1DPP4DPP8
SCHEMBL173099 0.77 PTGS1 (0.55) PTGS1GSTK1GLO1DPP4DPP8

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-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 disclosed
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