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Sugi Predict / Compounds / SCHEMBL31307286

SCHEMBL31307286

SCHEMBL31307286

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.60
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ C5AR1 P21730 1/20 0.56
▸ NPY2R P49146 7/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY5R Q15761 7/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ CALCRL Q16602 1/20 0.56
▸ RAMP3 O60896 2/20 0.55
▸ CALCR P30988 2/20 0.55
▸ NMUR2 Q9GZQ4 2/20 0.54
▸ NMUR1 Q9HB89 2/20 0.54

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
SCHEMBL31307255 0.93 EPHA2 (0.58) EPHA2C5AR1NPY2RNPY4RNPY5R
SCHEMBL31307232 0.89 EPHA2 (0.56) EPHA2OPRM1OPRD1C5AR1NPY2R
SCHEMBL31307287 0.88 EPHA2 (0.57) EPHA2OPRM1OPRD1NPY2RNPY4R
SCHEMBL30186412 0.88 EPHA2 (0.65) EPHA2OPRM1OPRD1C5AR1NPY2R
SCHEMBL30974093 0.88 EPHA2 (0.60) EPHA2OPRM1OPRD1CALCRLRAMP3
SCHEMBL31307280 0.87 RAMP3 (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974124 0.86 EPHA2 (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30973990 0.86 EPHA2 (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29390108 0.86 EPHA2 (0.62) EPHA2C5AR1NPY2RNPY4RNPY5R
SCHEMBL31410846 0.85 EPHA2 (0.58) EPHA2OPRM1OPRD1C5AR1RAMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4484442-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 Gdanski (PL) 2025-01-01 — — EP claimed
EP-4484442-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 Gdanski (PL) 2025-01-01 — — EP disclosed
EP-4484955-A1 METHOD FOR SCREENING OF EXTRACELLULAR TISSUE PEPTIDES IN MAMMALIAN TISSUE SAMPLES FOR HEALTH STATUS EVALUATION, DISEASE DIAGNOSTICS AND NEOANTIGEN DISCOVERY Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
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