SCHEMBL29763124

SCHEMBL29763124

NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.53
▸ ERAP2 Q6P179 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ FOLH1 Q04609 1/20 0.50
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ CTSD P07339 1/20 0.49
▸ GNPAT O15228 1/20 0.48

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
SCHEMBL29763133 1.00 BACE1 (0.53) BACE1ERAP2LNPEPFOLH1NAALAD2
SCHEMBL29408578 0.96 ERAP2 (0.53) BACE1ERAP2LNPEPCTSDGNPAT
SCHEMBL29692934 0.95 ERAP2 (0.57) ERAP2LNPEPFOLH1NAALAD2GNPAT
SCHEMBL31738414 0.93 BACE1 (0.54) BACE1FOLH1NAALAD2CTSD
SCHEMBL30688850 0.93 GNPAT (0.53) BACE1ERAP2LNPEPFOLH1NAALAD2
SCHEMBL30099615 0.93 GNPAT (0.56) ERAP2LNPEPFOLH1NAALAD2GNPAT
SCHEMBL30099583 0.93 GNPAT (0.56) ERAP2LNPEPFOLH1NAALAD2GNPAT
SCHEMBL29774693 0.93 GNPAT (0.56) ERAP2LNPEPFOLH1NAALAD2GNPAT
SCHEMBL29774691 0.93 GNPAT (0.56) ERAP2LNPEPFOLH1NAALAD2GNPAT
SCHEMBL30099620 0.93 GNPAT (0.56) ERAP2LNPEPFOLH1NAALAD2GNPAT

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
CN-114835777-B Umami peptide and prediction and screening method thereof 大连工业大学 2023-12-19 — — CN disclosed
CN-114835777-A Umami peptide and prediction and screening method thereof 大连工业大学 2022-08-02 — — CN disclosed
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