SCHEMBL30424186

SCHEMBL30424186

C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ ENPEP Q07075 5/20 0.49
▸ KISS1R Q969F8 4/20 0.49
▸ BACE1 P56817 5/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ APC P25054 1/20 0.46

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
SCHEMBL31615028 0.90 NAALAD2 (0.65) NAALAD2ENPEPNPY1RNPY2RNPY4R
SCHEMBL30255544 0.89 NAALAD2 (0.52) NAALAD2ENPEPKISS1RBACE1NPY1R
SCHEMBL30603411 0.89 NAALAD2 (0.52) NAALAD2ENPEPKISS1RBACE1NPY1R
SCHEMBL31610861 0.88 NAALAD2 (0.67) NAALAD2ENPEPNPY1RNPY2RNPY4R
SCHEMBL29440807 0.87 NPY1R (0.59) KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL29786766 0.87 MME (0.53) ENPEPNPY1RNPY2RNPY4R
SCHEMBL29591236 0.87 MME (0.55) ENPEPNPY1RNPY2RNPY4R
SCHEMBL29590470 0.87 KISS1R (0.51) NAALAD2ENPEPKISS1RNPY1RNPY2R
SCHEMBL30423307 0.86 NPY4R (0.60) KISS1RNPY1RNPY2RNPY4R
SCHEMBL29521236 0.85 NAALAD2 (0.57) NAALAD2ENPEPBACE1NPY1RNPY2R

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
CN-116239666-A Four goat milk chelated calcium peptides and preparation method thereof 华南农业大学 2023-06-09 — — CN claimed
CN-116239666-B Chelating calcium peptide mixture 华南农业大学 2023-09-19 — — CN disclosed
CN-116239666-A Four goat milk chelated calcium peptides and preparation method thereof 华南农业大学 2023-06-09 — — CN disclosed
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