SCHEMBL31410840

SCHEMBL31410840

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CC(=O)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 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 5/20 0.45
BACE1 P56817 8/20 0.44
CTSD P07339 4/20 0.44
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 1/20 0.42
MAGI3 Q5TCQ9 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KEAP1 Q14145 1/20 0.40

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
SCHEMBL31410883 0.88 BACE1 (0.55) ENPEPBACE1CTSDCASP1CASP3
SCHEMBL30737873 0.87 ENPEP (0.47) ENPEPBACE1GRIN2DGRIN3BGRIN1
SCHEMBL31307248 0.85 RXFP1 (0.47) KEAP1
SCHEMBL31307272 0.85 RXFP1 (0.47) KEAP1
SCHEMBL30432328 0.85 BACE1 (0.46) ENPEPBACE1CTSDGRIN2DGRIN3B
SCHEMBL31410885 0.84 GLO1 (0.42) BACE1CTSDKEAP1
SCHEMBL29679673 0.83 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30571150 0.83 GRIN2D (0.47) BACE1CTSDGRIN2DGRIN3BGRIN1
SCHEMBL31031578 0.82 MAGI3 (0.44) ENPEPBACE1CTSDCASP1CASP3
SCHEMBL29532309 0.82 BACE1 (0.48) ENPEPBACE1CTSDGRIN2DGRIN3B

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 2 patents. 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 claimed
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