SCHEMBL31410838

SCHEMBL31410838

CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.43
▸ IL23R Q5VWK5 2/20 0.42
▸ KEAP1 Q14145 4/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.40
▸ OPRL1 P41146 1/20 0.39
▸ GLP1R P43220 2/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ MUS81 Q96NY9 1/20 0.38
▸ PTH1R Q03431 1/20 0.38
▸ SCTR P47872 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ VIPR2 P41587 1/20 0.38

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
SCHEMBL31410686 0.96 KEAP1 (0.41) TFPIIL23RKEAP1RXFP1OPRL1
SCHEMBL31307248 0.90 RXFP1 (0.47) TFPIKEAP1RXFP1GLP1RECE1
SCHEMBL31307261 0.89 RXFP1 (0.47) TFPIKEAP1RXFP1GLP1RECE1
SCHEMBL30471851 0.86 PDCD1LG2 (0.39) TFPIIL23RKEAP1OPRL1
SCHEMBL31307272 0.86 RXFP1 (0.47) TFPIKEAP1RXFP1GLP1RECE1
SCHEMBL31410656 0.86 OPRL1 (0.41) TFPIKEAP1OPRL1NPY1RNPY2R
SCHEMBL29772973 0.86 NOD1 (0.41) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30596211 0.86 NPY4R (0.46) TFPIKEAP1RXFP1NPY1RNPY2R
SCHEMBL29375093 0.85 TFPI (0.40) TFPIIL23RKEAP1RXFP1OPRL1
SCHEMBL29536042 0.85 GNPAT (0.44) TFPIIL23RKEAP1RXFP1OPRL1

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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