SCHEMBL31410849

SCHEMBL31410849

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.45
▸ REN P00797 4/20 0.43
▸ NTSR2 O95665 3/20 0.41
▸ NTSR1 P30989 3/20 0.41
▸ CTSB P07858 1/20 0.41
▸ NMUR2 Q9GZQ4 4/20 0.41
▸ NMUR1 Q9HB89 3/20 0.41
▸ ACE P12821 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL29660884 0.89 CAPN1 (0.47) CAPN1RENNTSR2NTSR1CTSB
SCHEMBL30079002 0.87 CALCRL (0.47) CAPN1RENNTSR2NTSR1CTSD
SCHEMBL31410889 0.85 NPY1R (0.47) CAPN1NTSR2NTSR1XIAP
SCHEMBL29679979 0.82 CAPN1 (0.48) CAPN1NTSR2NTSR1CTSBNMUR2
SCHEMBL30264359 0.82 ACE (0.46) CAPN1RENNTSR2NTSR1CTSB
SCHEMBL29407478 0.81 REN (0.44) CAPN1RENNTSR2NTSR1NMUR2
SCHEMBL30264355 0.81 OPRM1 (0.45) RENNMUR2NMUR1ACEXIAP
SCHEMBL29630553 0.81 CAPN1 (0.45) CAPN1RENCTSBACEXIAP
SCHEMBL29888963 0.79 MMP3 (0.44) CAPN1RENNTSR2NTSR1CTSD
SCHEMBL29630482 0.79 OPRM1 (0.46) CAPN1RENNTSR2NTSR1CTSB

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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