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Sugi Predict / Compounds / SCHEMBL29975204

SCHEMBL29975204

SCHEMBL29975204

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.62
▸ BACE2 Q9Y5Z0 5/20 0.62
▸ CTSD P07339 2/20 0.62

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
SCHEMBL29975351 0.95 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL30502352 0.93 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL29598002 0.92 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL31316306 0.89 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30512850 0.89 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL30502367 0.88 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL31182917 0.88 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL30851228 0.88 OPRK1 (0.55) BACE1BACE2CTSD
SCHEMBL29645131 0.87 BACE1 (0.56) BACE1CTSD
SCHEMBL30397813 0.87 BACE1 (0.60) BACE1BACE2CTSD

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
EP-4308146-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES Oak Crest Institute of Science (US) 2024-01-24 — — EP disclosed
EP-4171746-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL RESPIRATORY DISEASES Oak Crest Institute of Science (US) 2023-05-03 — — EP disclosed
WO-2022232275-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES OAK CREST INSTITUTE OF SCIENCE (US) 2022-11-03 — — WO disclosed
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