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Sugi Predict / Compounds / SCHEMBL29514780

SCHEMBL29514780

SCHEMBL29514780

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.41
▸ CTSD P07339 2/20 0.39
▸ BACE2 Q9Y5Z0 3/20 0.39
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL29514797 0.90 BACE1 (0.43) BACE1CTSDBACE2OPRD1
SCHEMBL29514698 0.90 BACE1 (0.43) BACE1CTSDBACE2OPRD1
SCHEMBL29514645 0.89 BACE1 (0.44) BACE1CTSDBACE2OPRD1
SCHEMBL29758622 0.88 SLC15A2 (0.44) —
SCHEMBL29478145 0.86 SLC15A2 (0.40) BACE1CTSDBACE2
SCHEMBL8000316 0.86 SLC15A2 (0.47) —
SCHEMBL8000305 0.86 SLC15A2 (0.47) —
SCHEMBL30539512 0.86 SLC15A2 (0.42) BACE1CTSDBACE2
SCHEMBL30441425 0.86 SLC15A2 (0.43) BACE1CTSDBACE2
SCHEMBL29940718 0.85 BACE1 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621318-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-06-14 — — CN claimed
CN-114181281-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-03-15 — — CN claimed
CN-114621318-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-06-14 — — CN disclosed
CN-107531752-B Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-05-10 — — CN disclosed
CN-114181281-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-03-15 — — CN disclosed
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