SCHEMBL30661108

SCHEMBL30661108

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.60
▸ ACE P12821 3/20 0.47
▸ BACE1 P56817 5/20 0.47
▸ FOLH1 Q04609 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MME P08473 2/20 0.46
▸ ENPEP Q07075 3/20 0.46
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44

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
SCHEMBL29591506 0.91 NAALAD2 (0.48) NAALAD2ACEMEN1KMT2AMME
SCHEMBL30468673 0.91 NAALAD2 (0.55) NAALAD2ACEFOLH1MMEENPEP
SCHEMBL29707527 0.91 NAALAD2 (0.55) NAALAD2ACEFOLH1MMEENPEP
SCHEMBL30533112 0.90 NAALAD2 (0.61) NAALAD2ACEFOLH1MME
SCHEMBL31412760 0.89 BACE1 (0.54) BACE1NPY1RNPY2RNPY4R
SCHEMBL31198202 0.89 MEN1 (0.52) NAALAD2ACEFOLH1MEN1KMT2A
SCHEMBL29630734 0.88 NAALAD2 (0.54) NAALAD2ACEMMEENPEPCPA1
SCHEMBL29630542 0.86 NAALAD2 (0.55) NAALAD2ACEMMEENPEPCPA1
SCHEMBL29592666 0.86 NPY5R (0.49) BACE1NPY1RNPY2RNPY4R
SCHEMBL29735690 0.85 NAALAD2 (0.56) NAALAD2ACEENPEP

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-116813803-B Polypeptide nano material for efficiently loading rapamycin as well as preparation method and application thereof 北京科技大学 2023-11-28 — — CN disclosed
CN-116813803-A Polypeptide nano material for efficiently loading rapamycin as well as preparation method and application thereof 北京科技大学 2023-09-29 — — CN disclosed
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