SCHEMBL31410871

SCHEMBL31410871

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ECE1 P42892 1/20 0.39
CTSD P07339 2/20 0.38
BACE1 P56817 2/20 0.38
LAP3 P28838 2/20 0.38

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
SCHEMBL3495921 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL3495919 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL6657992 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29595755 0.90 BACE1 (0.41) CTSDBACE1
SCHEMBL10728522 0.86 MME (0.43) CTSD
SCHEMBL10728540 0.86 MME (0.43) CTSD
SCHEMBL9829030 0.85 LMNA (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9829015 0.85 LMNA (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29498158 0.84 MMP8 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29365416 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPTCTSDBACE1

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-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 WO claimed