SCHEMBL30974202

SCHEMBL30974202

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.46
▸ CTSD P07339 3/20 0.46
▸ ENPEP Q07075 5/20 0.45
▸ FOLH1 Q04609 3/20 0.44
▸ RIMKLA Q8IXN7 1/20 0.44
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL30590545 0.93 FOLH1 (0.50) BACE1FOLH1RIMKLANAALAD2
SCHEMBL29370769 0.92 ENPEP (0.46) BACE1CTSDENPEPFOLH1RIMKLA
SCHEMBL29630420 0.91 BACE1 (0.52) BACE1CTSDFOLH1RIMKLANAALAD2
SCHEMBL29354024 0.90 ENPEP (0.52) BACE1CTSDENPEP
SCHEMBL29565792 0.90 ENPEP (0.52) BACE1CTSDENPEP
SCHEMBL11052116 0.90 BACE1 (0.56) BACE1CTSDENPEP
Ammonia Solution, Strong SCHEMBL29404690 0.89 BACE1 (0.52) BACE1CTSDFOLH1RIMKLANAALAD2
SCHEMBL10379815 0.87 FOLH1 (0.56) FOLH1RIMKLANAALAD2
SCHEMBL9622060 0.87 FOLH1 (0.56) FOLH1RIMKLANAALAD2
SCHEMBL156084 0.87 FOLH1 (0.56) FOLH1RIMKLANAALAD2

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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