SCHEMBL30974310

SCHEMBL30974310

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ BACE1 P56817 10/20 0.49
▸ BACE2 Q9Y5Z0 2/20 0.49
▸ CTSD P07339 1/20 0.49
▸ FOLH1 Q04609 2/20 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
SCHEMBL30974450 0.93 MMP2 (0.54) NAALAD2BACE1BACE2CTSDFOLH1
SCHEMBL31514373 0.91 FOLH1 (0.53) NAALAD2BACE1BACE2CTSDFOLH1
SCHEMBL29596872 0.91 MMP2 (0.54) NAALAD2
SCHEMBL31031587 0.91 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL31738414 0.90 BACE1 (0.54) NAALAD2BACE1CTSDFOLH1
SCHEMBL30688836 0.89 MMP2 (0.58) NAALAD2BACE1BACE2CTSDFOLH1
SCHEMBL31170895 0.89 GNPAT (0.57) —
SCHEMBL29573446 0.89 GNPAT (0.57) —
SCHEMBL31316306 0.89 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30974176 0.89 NAALAD2 (0.52) NAALAD2

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
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