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Sugi Predict / Compounds / SCHEMBL30130349

SCHEMBL30130349

SCHEMBL30130349

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.60
▸ CTSD P07339 1/20 0.57
▸ BACE2 Q9Y5Z0 3/20 0.52
▸ OPRD1 P41143 1/20 0.51

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
SCHEMBL29579768 0.90 BACE1 (0.60) BACE1CTSDBACE2OPRD1
SCHEMBL30906334 0.88 OPRL1 (0.59) BACE1CTSDOPRD1
SCHEMBL30610768 0.87 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL29579263 0.87 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL30974088 0.86 BACE1 (0.62) BACE1CTSDOPRD1
SCHEMBL30974389 0.86 TFPI (0.58) BACE1BACE2OPRD1
SCHEMBL30966645 0.83 BACE1 (0.55) BACE1CTSDOPRD1
SCHEMBL31554830 0.83 BACE1 (0.56) BACE1CTSDBACE2OPRD1
SCHEMBL30193015 0.83 BACE1 (0.53) BACE1CTSDBACE2OPRD1
SCHEMBL30906473 0.82 OPRL1 (0.52) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084126-A1 PEPTIDE AND COMPOSITION OSAKA UNIVERSITY (JP) 2025-03-13 — — US claimed
EP-4368629-A1 PEPTIDE AND COMPOSITION OSAKA UNIVERSITY (JP) 2024-05-15 — — EP claimed
WO-2023282293-A1 PEPTIDE AND COMPOSITION 国立大学法人大阪大学 2023-01-12 — — WO claimed
WO-2025068966-A2 SYNERGISTIC DENTIFRICE (ORAL) COMPOSITION, FORMULATION AND PREPARATION METHOD AND APPLICATION THEREOF RAI BALWANT (IN) 2025-04-03 — — WO disclosed
US-20250084126-A1 PEPTIDE AND COMPOSITION OSAKA UNIVERSITY (JP) 2025-03-13 — — US disclosed
US-20250084126-A1 PEPTIDE AND COMPOSITION OSAKA UNIVERSITY (JP) 2025-03-13 — — US disclosed
EP-4368629-A1 PEPTIDE AND COMPOSITION OSAKA UNIVERSITY (JP) 2024-05-15 — — EP disclosed
EP-4368629-A1 PEPTIDE AND COMPOSITION OSAKA UNIVERSITY (JP) 2024-05-15 — — EP disclosed
WO-2023282293-A1 PEPTIDE AND COMPOSITION 国立大学法人大阪大学 2023-01-12 — — WO disclosed
WO-2023282293-A1 PEPTIDE AND COMPOSITION 国立大学法人大阪大学 2023-01-12 — — WO disclosed
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