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SCHEMBL31410851

SCHEMBL31410851

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.50
▸ BACE1 P56817 14/20 0.46
▸ BACE2 Q9Y5Z0 4/20 0.46
▸ GLP1R P43220 4/20 0.44
▸ CTSD P07339 2/20 0.43

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
SCHEMBL31307277 0.94 EGFR (0.47) EGFRBACE1BACE2GLP1R
SCHEMBL30512529 0.90 GLP1R (0.48) GLP1R
SCHEMBL30462069 0.88 EGFR (0.46) EGFRBACE1BACE2CTSD
SCHEMBL30576976 0.88 GLP1R (0.56) GLP1R
SCHEMBL29940718 0.87 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL30140911 0.86 GLP1R (0.51) GLP1R
SCHEMBL29697025 0.86 CALCR (0.51) BACE1GLP1R
SCHEMBL31472853 0.86 NPY4R (0.47) EGFRBACE1BACE2CTSD
SCHEMBL30462089 0.85 PTPN1 (0.44) EGFRBACE1BACE2
SCHEMBL30512656 0.84 BACE1 (0.45) BACE1BACE2CTSD

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
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