SCHEMBL31410883

SCHEMBL31410883

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.55
CTSD P07339 4/20 0.55
ENPEP Q07075 5/20 0.48
MAGI3 Q5TCQ9 1/20 0.46
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CASP10 Q92851 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.44

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
SCHEMBL29733388 0.90 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL30502986 0.90 BACE1 (0.55) BACE1CTSDENPEPCASP1CASP3
SCHEMBL31410840 0.88 ENPEP (0.45) BACE1CTSDENPEPMAGI3CASP1
SCHEMBL29630764 0.88 ENPEP (0.51) BACE1CTSDENPEP
SCHEMBL29630649 0.87 ENPEP (0.54) BACE1CTSDENPEP
SCHEMBL29733454 0.87 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL29733242 0.86 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL31344023 0.86 BACE1 (0.49) BACE1CTSDMAGI3BACE2
SCHEMBL6521892 0.86 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL8772318 0.85 BACE1 (0.47) BACE1CTSDENPEPMAGI3BACE2

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