SCHEMBL29940718

SCHEMBL29940718

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.46
▸ BACE2 Q9Y5Z0 5/20 0.46
▸ CTSD P07339 3/20 0.46
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40

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
SCHEMBL29514797 0.90 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL29514698 0.90 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL29514645 0.89 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL10695762 0.88 CCNA2 (0.46) BACE1BACE2
SCHEMBL10695770 0.88 CCNA2 (0.46) BACE1BACE2
SCHEMBL31410851 0.87 EGFR (0.50) BACE1BACE2CTSD
SCHEMBL29625334 0.87 CCNA2 (0.43) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30539513 0.87 BACE1 (0.40) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30462069 0.86 EGFR (0.46) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30539512 0.86 SLC15A2 (0.42) 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
CN-113215212-B Soybean protein peptide with antioxidant and ACE (angiotensin converting enzyme) inhibiting functions and preparation method thereof 国肽生物工程(常德)有限公司 2022-09-27 — — CN disclosed
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