SCHEMBL31410885

SCHEMBL31410885

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.42
BMP1 P13497 1/20 0.41
KEAP1 Q14145 1/20 0.39
BACE1 P56817 2/20 0.39
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
CTSD P07339 1/20 0.38
PSMB5 P28074 1/20 0.36
NOD1 Q9Y239 1/20 0.36
OPRD1 P41143 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
SCHEMBL30720815 0.89 BACE1 (0.46) BACE1PTGS1GSTK1CTSDOPRD1
SCHEMBL29630636 0.88 BMP1 (0.46) BMP1BACE1CTSD
SCHEMBL11133652 0.85 PTGS1 (0.45) GLO1BMP1PTGS1GSTK1NOD1
SCHEMBL11841346 0.85 OPRM1 (0.46) BACE1CTSDOPRD1
SCHEMBL11832854 0.85 OPRM1 (0.46) BACE1CTSDOPRD1
SCHEMBL29808352 0.85 BACE1 (0.47) BACE1CTSDOPRD1
SCHEMBL31410840 0.84 ENPEP (0.45) KEAP1BACE1CTSD
SCHEMBL30558188 0.83 DPP4 (0.48) GLO1BACE1PTGS1GSTK1CTSD
SCHEMBL7745414 0.82 BACE1 (0.42) BACE1CTSDOPRD1
SCHEMBL2789997 0.81 GLO1 (0.45) GLO1BMP1KEAP1BACE1PTGS1

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-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 WO disclosed