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SCHEMBL30437477

SCHEMBL30437477

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.67
▸ CTSD P07339 1/20 0.62
▸ BACE2 Q9Y5Z0 5/20 0.59

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
SCHEMBL30433044 0.94 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL29695500 0.91 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL29699573 0.91 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL30880910 0.88 BACE1 (0.55) BACE1BACE2
SCHEMBL31497353 0.88 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL30436893 0.88 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30176488 0.87 BACE1 (0.62) BACE1BACE2
SCHEMBL30906345 0.86 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL30729471 0.86 KISS1R (0.55) BACE1CTSDBACE2
SCHEMBL30512659 0.85 BACE1 (0.56) BACE1CTSDBACE2

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
CN-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
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