SCHEMBL29798316

SCHEMBL29798316

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.52
CTSD P07339 4/20 0.52
ECE1 P42892 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.44
LAP3 P28838 2/20 0.43

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
SCHEMBL31720947 0.97 BACE1 (0.53) BACE1CTSD
SCHEMBL29798028 0.93 BACE1 (0.57) BACE1CTSDECE1
SCHEMBL28586133 0.91 ALDH1A1 (0.50) BACE1CTSDALDH1A1MAPTLAP3
SCHEMBL28586132 0.91 ALDH1A1 (0.50) BACE1CTSDALDH1A1MAPTLAP3
SCHEMBL9657142 0.91 ALDH1A1 (0.53) ECE1ALDH1A1MAPTLAP3
SCHEMBL29797982 0.91 BACE1 (0.50) BACE1CTSD
SCHEMBL29531766 0.90 BACE1 (0.46) BACE1CTSDECE1ALDH1A1MAPT
SCHEMBL30814697 0.90 BACE1 (0.48) BACE1CTSDALDH1A1MAPTLAP3
SCHEMBL30737622 0.90 ECE1 (0.56) BACE1CTSDECE1
SCHEMBL29630774 0.90 ECE1 (0.56) BACE1CTSDECE1

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 2 patents. 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
US-20220259265-A1 Inhibitors and Use Thereof in Cancer Treatment THE UNIVERSITY OF SYDNEY (AU) 2022-08-18 US disclosed