SCHEMBL30974493

SCHEMBL30974493

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.54
▸ BACE2 Q9Y5Z0 2/20 0.54
▸ CTSD P07339 2/20 0.54
▸ MMP2 P08253 1/20 0.53
▸ FNTA P49354 1/20 0.51
▸ FNTB P49356 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GNPAT O15228 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50

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
SCHEMBL10379929 0.97 GNPAT (0.54) BACE1BACE2CTSDMMP2FNTA
SCHEMBL10379927 0.97 GNPAT (0.54) BACE1BACE2CTSDMMP2FNTA
SCHEMBL29496478 0.96 MMP2 (0.54) BACE1BACE2CTSDMMP2SMN1; SMN2
SCHEMBL29496483 0.96 MMP2 (0.54) BACE1BACE2CTSDMMP2SMN1; SMN2
SCHEMBL29904560 0.96 MMP2 (0.54) BACE1BACE2CTSDMMP2SMN1; SMN2
SCHEMBL2515519 0.96 CTSD (0.54) BACE1BACE2CTSDMMP2FNTA
SCHEMBL9488073 0.96 CTSD (0.54) BACE1BACE2CTSDMMP2FNTA
SCHEMBL2515525 0.96 CTSD (0.54) BACE1BACE2CTSDMMP2FNTA
SCHEMBL29415210 0.95 BACE1 (0.61) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL31393817 0.94 BACE1 (0.62) BACE1BACE2CTSDNPY1RNPY2R

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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