SCHEMBL31753618

SCHEMBL31753618

N[C@@H](CCC(=O)N[C@@H](CSC(=O)CCCc1ccccc1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ GSTK1 Q9Y2Q3 1/20 0.55
▸ GLO1 Q04760 4/20 0.49
▸ LTA4H P09960 2/20 0.45
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ CALCRL Q16602 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42

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
SCHEMBL4230290 0.90 PTGS1 (0.57) PTGS1GSTK1GLO1LTA4H
SCHEMBL4230298 0.90 PTGS1 (0.57) PTGS1GSTK1GLO1LTA4H
SCHEMBL11875270 0.88 PTGS1 (0.55) PTGS1GSTK1GLO1LTA4HITGB3
SCHEMBL11870398 0.88 PTGS1 (0.55) PTGS1GSTK1GLO1LTA4HITGB3
SCHEMBL11874925 0.87 PTGS1 (0.58) PTGS1GSTK1GLO1LTA4H
SCHEMBL11874912 0.87 PTGS1 (0.58) PTGS1GSTK1GLO1LTA4H
SCHEMBL16859867 0.84 PTGS1 (0.65) PTGS1GSTK1GLO1
SCHEMBL11874436 0.83 GLO1 (0.59) PTGS1GSTK1GLO1LTA4H
SCHEMBL9007849 0.83 PTGS1 (0.59) PTGS1GSTK1GLO1LTA4H
SCHEMBL5000996 0.83 GLO1 (0.59) PTGS1GSTK1GLO1LTA4H

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
WO-2025262540-A1 S- AND/OR N-ACYLATED GLUTATHIONE DERIVATIVES DR TEZZA S.R.L. (IT) 2025-12-26 — — WO disclosed
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