SCHEMBL31410831

SCHEMBL31410831

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.42
▸ PLK1 P53350 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ RAMP3 O60896 6/20 0.41
▸ CALCR P30988 6/20 0.41
▸ CALCRL Q16602 3/20 0.40
▸ RAMP1 O60894 1/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ NRP1 O14786 1/20 0.39

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
SCHEMBL29496452 0.93 PLK1 (0.44) PLK1RAMP3CALCR
SCHEMBL30329534 0.93 OPRM1 (0.41) PLK1CXCR4CALCRLRAMP1EPHA2
SCHEMBL29823805 0.92 RAMP3 (0.39) PLK1CXCR4RAMP3CALCRNRP1
SCHEMBL30385468 0.90 NRP1 (0.43) PLK1NRP1
SCHEMBL29496425 0.89 RAMP3 (0.49) PLK1RAMP3CALCR
SCHEMBL29496498 0.88 RAMP3 (0.45) PLK1RAMP3CALCRCALCRLRAMP1
SCHEMBL30658573 0.88 NMUR2 (0.43) PLK1NRP1
SCHEMBL31232451 0.88 RAMP3 (0.49) KEAP1CXCR4RAMP3CALCR
SCHEMBL31655366 0.87 NMUR2 (0.43) KEAP1CXCR4RAMP3CALCR
SCHEMBL29496489 0.87 PLK1 (0.45) PLK1RAMP3CALCR

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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