Sugi Predict

Sugi Predict / Compounds / SCHEMBL30436893

SCHEMBL30436893

SCHEMBL30436893

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.57
▸ CTSD P07339 1/20 0.54
▸ BACE2 Q9Y5Z0 2/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54

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 0.89 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL29609357 0.89 TFPI (0.64) BACE1BACE2
SCHEMBL30437477 0.88 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL29461368 0.88 BACE1 (0.60) BACE1
SCHEMBL31182821 0.88 BACE1 (0.57) BACE1BACE2OPRM1OPRD1
SCHEMBL31182918 0.87 TFPI (0.64) BACE1OPRM1OPRD1
SCHEMBL31683305 0.86 BACE1 (0.59) BACE1BACE2OPRM1OPRD1
SCHEMBL31182838 0.86 TFPI (0.60) BACE1
SCHEMBL30433489 0.86 BACE1 (0.57) BACE1OPRM1OPRD1
SCHEMBL31678895 0.86 TFPI (0.60) BACE1

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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