SCHEMBL31410866

SCHEMBL31410866

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]1CCCN1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.54
▸ MAOB P27338 1/20 0.49
▸ KDM5A P29375 1/20 0.49
▸ KDM1B Q8NB78 1/20 0.49
▸ EPHA2 P29317 2/20 0.48
▸ CALCRL Q16602 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ NPY4R P50391 7/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ NPY2R P49146 3/20 0.46
▸ NPY5R Q15761 3/20 0.46
▸ KISS1R Q969F8 3/20 0.45
▸ KEAP1 Q14145 1/20 0.45

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
SCHEMBL30974540 0.94 NPY4R (0.51) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL31214553 0.92 CALCRL (0.53) KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL29416073 0.88 KDM1A (0.57) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29666842 0.86 MAPK8 (0.49) KDM1AEPHA2CALCRLMAPK8MAPK9
SCHEMBL29932164 0.85 NPY4R (0.51) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL29876897 0.85 NPY4R (0.51) KDM1ANPY4RNPY1RNPY2RNPY5R
SCHEMBL30942554 0.84 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31410875 0.84 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31410846 0.83 EPHA2 (0.58) KDM1AEPHA2
SCHEMBL30686002 0.83 MAPK8 (0.42) KDM1ACALCRLMAPK8MAPK9MAPK10

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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