SCHEMBL30974353

SCHEMBL30974353

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

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.68
CTSD P07339 2/20 0.62
NAALAD2 Q9Y3Q0 1/20 0.60
BACE2 Q9Y5Z0 2/20 0.56

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
SCHEMBL29695561 0.97 BACE1 (0.65) BACE1CTSDNAALAD2BACE2
SCHEMBL30307335 0.94 BACE1 (0.61) BACE1CTSDNAALAD2BACE2
SCHEMBL31720880 0.94 BACE1 (0.61) BACE1CTSDNAALAD2BACE2
SCHEMBL29592259 0.94 BACE1 (0.61) BACE1CTSDNAALAD2BACE2
SCHEMBL29827935 0.94 NAALAD2 (0.67) BACE1CTSDNAALAD2BACE2
SCHEMBL29590787 0.92 BACE1 (0.60) BACE1CTSDNAALAD2BACE2
SCHEMBL30460370 0.92 BACE1 (0.60) BACE1CTSDNAALAD2BACE2
SCHEMBL31094953 0.91 NAALAD2 (0.60) BACE1CTSDNAALAD2BACE2
SCHEMBL29630505 0.91 BACE1 (0.58) BACE1CTSDNAALAD2BACE2
SCHEMBL30903452 0.90 BACE1 (0.57) BACE1CTSDNAALAD2BACE2

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-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 WO disclosed