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SCHEMBL31410833

SCHEMBL31410833

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ GLP1R P43220 10/20 0.55
▸ SCTR P47872 1/20 0.55
▸ CALCR P30988 3/20 0.54
▸ GCGR P47871 4/20 0.53
▸ KEAP1 Q14145 1/20 0.52

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
SCHEMBL31307236 0.96 TFPI (0.57) TFPIGLP1RSCTRCALCRGCGR
SCHEMBL30424730 0.95 C5AR1 (0.53) TFPIGLP1RSCTRCALCRGCGR
SCHEMBL29697191 0.90 NPY4R (0.51) TFPIGLP1RSCTRCALCRGCGR
SCHEMBL30883206 0.89 TFPI (0.61) TFPIGLP1RSCTRCALCRGCGR
SCHEMBL30567719 0.89 KEAP1 (0.55) GLP1RCALCRKEAP1
SCHEMBL31603936 0.88 GLP1R (0.62) GLP1RSCTRCALCRGCGRKEAP1
SCHEMBL31182575 0.88 TFPI (0.63) TFPIGLP1RSCTRCALCRGCGR
SCHEMBL30567777 0.87 PTH1R (0.61) GLP1RCALCR
SCHEMBL31182560 0.87 CALCR (0.64) TFPIGLP1RCALCR
SCHEMBL30512627 0.87 TFPI (0.64) TFPIGLP1RSCTRGCGR

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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