SCHEMBL31410876

SCHEMBL31410876

CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.49
▸ KEAP1 Q14145 2/20 0.48
▸ CAPN1 P07384 4/20 0.48
▸ BACE1 P56817 4/20 0.44
▸ CTSD P07339 2/20 0.44
▸ RAMP1 O60894 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.42

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
SCHEMBL29680220 0.91 CAPN1 (0.51) CALCRLKEAP1CAPN1BACE1CTSD
SCHEMBL31183007 0.90 CAPN1 (0.51) CALCRLKEAP1CAPN1BACE1CTSD
SCHEMBL8936972 0.89 STAT3 (0.47) CALCRLKEAP1CAPN1BACE1CTSD
SCHEMBL30687535 0.89 CAPN1 (0.47) CALCRLKEAP1CAPN1SLC6A2XIAP
SCHEMBL31347657 0.88 CALCRL (0.54) CALCRLCAPN1BACE1CTSDRAMP1
SCHEMBL31026619 0.87 CAPN1 (0.52) CALCRLKEAP1CAPN1SLC6A2XIAP
SCHEMBL31026618 0.87 NTSR1 (0.49) CALCRLCAPN1BACE1NTSR2NTSR1
SCHEMBL30397865 0.86 NTSR1 (0.49) KEAP1CAPN1NTSR2NTSR1
SCHEMBL31484229 0.86 CAPN1 (0.51) CALCRLCAPN1SLC6A2XIAPCTSB
SCHEMBL30434738 0.86 NTSR2 (0.46) CAPN1NTSR2NTSR1

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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