SCHEMBL30974450

SCHEMBL30974450

NCCCC[C@H](N)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 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.54
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ BACE1 P56817 9/20 0.51
▸ 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
SCHEMBL30688836 0.96 MMP2 (0.58) MMP2NAALAD2BACE1BACE2CTSD
SCHEMBL29396705 0.95 MMP2 (0.59) MMP2NAALAD2BACE1BACE2CTSD
SCHEMBL30974310 0.93 NAALAD2 (0.50) NAALAD2BACE1BACE2CTSDFOLH1
SCHEMBL30099515 0.93 MMP2 (0.57) MMP2NAALAD2BACE1FOLH1
SCHEMBL29630397 0.91 MMP2 (0.59) MMP2
SCHEMBL29531462 0.91 MMP2 (0.56) MMP2NAALAD2BACE1BACE2CTSD
SCHEMBL30179375 0.90 MMP2 (0.58) MMP2
SCHEMBL31316306 0.90 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30974176 0.89 NAALAD2 (0.52) NAALAD2
SCHEMBL34464901 0.89 MMP2 (0.62) MMP2

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
Send feedback