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SCHEMBL29477121

SCHEMBL29477121

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.61
▸ CTSD P07339 3/20 0.49
▸ FOLH1 Q04609 2/20 0.47
▸ PTPN1 P18031 2/20 0.43
▸ BACE2 Q9Y5Z0 1/20 0.42

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
SCHEMBL29477117 1.00 BACE1 (0.61) BACE1CTSDFOLH1PTPN1BACE2
SCHEMBL4978783 0.93 BACE1 (0.55) BACE1CTSDFOLH1BACE2
SCHEMBL30462175 0.90 BACE1 (0.60) BACE1CTSDFOLH1PTPN1BACE2
SCHEMBL30462180 0.90 BACE1 (0.60) BACE1CTSDFOLH1PTPN1BACE2
SCHEMBL11049992 0.90 BACE1 (0.60) BACE1CTSD
SCHEMBL11050000 0.89 BACE1 (0.54) BACE1CTSD
SCHEMBL30469501 0.88 FOLH1 (0.49) BACE1FOLH1
SCHEMBL31004359 0.87 BACE1 (0.58) BACE1CTSDFOLH1PTPN1
SCHEMBL29772000 0.86 BACE1 (0.54) BACE1CTSDFOLH1PTPN1
SCHEMBL29630430 0.85 FOLH1 (0.57) BACE1CTSDFOLH1BACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114158715-B Rose Huang Huangyou bolete delicious peptide and preparation method thereof 昆明理工大学 2023-06-23 — — CN claimed
CN-114158715-A Dahurian rose yellow butter bolete delicate flavor peptide and preparation method thereof 昆明理工大学 2022-03-11 — — CN claimed
CN-114158715-A Dahurian rose yellow butter bolete delicate flavor peptide and preparation method thereof 昆明理工大学 2022-03-11 — — CN disclosed