SCHEMBL31410824

SCHEMBL31410824

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.44
▸ BACE1 P56817 5/20 0.42
▸ CTSD P07339 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ NPY4R P50391 3/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ NPY2R P49146 2/20 0.39
▸ NPY5R Q15761 2/20 0.39
▸ TFPI P10646 1/20 0.38

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
SCHEMBL29987871 0.90 KEAP1 (0.45) KEAP1BACE1CTSDNPY4RNPY1R
SCHEMBL31031478 0.89 BACE1 (0.44) BACE1OPRD1TFPI
SCHEMBL31484224 0.86 BACE1 (0.49) KEAP1BACE1CTSDBACE2NPY4R
SCHEMBL31484239 0.86 BACE1 (0.49) KEAP1BACE1CTSDBACE2NPY4R
SCHEMBL30903440 0.85 BACE1 (0.43) KEAP1BACE1CTSDNPY4RNPY1R
SCHEMBL29743029 0.85 NPY4R (0.41) KEAP1OPRD1NPY4RNPY1RNPY2R
SCHEMBL31674373 0.84 NPY4R (0.44) KEAP1BACE1CTSDBACE2NPY4R
SCHEMBL31383717 0.83 BACE1 (0.45) BACE1CTSD
SCHEMBL29595332 0.83 TFPI (0.46) KEAP1BACE1CTSDTFPI
SCHEMBL30228743 0.83 NPY4R (0.44) BACE1CTSDNPY4RNPY1RNPY2R

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
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