SCHEMBL31410854

SCHEMBL31410854

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.44
▸ BMP1 P13497 1/20 0.40
▸ GLO1 Q04760 1/20 0.38
▸ BACE1 P56817 6/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ FOLH1 Q04609 3/20 0.37
▸ NAALAD2 Q9Y3Q0 2/20 0.37
▸ RIMKLA Q8IXN7 1/20 0.37

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
SCHEMBL29771993 0.93 FOLH1 (0.45) NOD1BACE1EGFRCTSDFOLH1
SCHEMBL30920966 0.91 NOD1 (0.52) NOD1BMP1GLO1FOLH1NAALAD2
SCHEMBL29022775 0.87 NOD1 (0.49) NOD1BMP1BACE1CTSDFOLH1
SCHEMBL29022777 0.87 NOD1 (0.49) NOD1BMP1BACE1CTSDFOLH1
SCHEMBL30930160 0.86 NOD1 (0.48) NOD1BMP1GLO1FOLH1NAALAD2
SCHEMBL29771974 0.86 BACE1 (0.45) BACE1EGFRCTSDFOLH1
SCHEMBL29772105 0.85 BACE1 (0.42) NOD1BMP1BACE1EGFRCTSD
SCHEMBL30193304 0.85 NOD1 (0.53) NOD1BMP1FOLH1NAALAD2RIMKLA
SCHEMBL31627965 0.85 NOD1 (0.53) NOD1BMP1FOLH1NAALAD2RIMKLA
SCHEMBL29772065 0.85 NOD1 (0.53) NOD1BMP1FOLH1NAALAD2RIMKLA

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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