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Sugi Predict / Compounds / SCHEMBL30720017

SCHEMBL30720017

SCHEMBL30720017

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.46
▸ BACE2 Q9Y5Z0 4/20 0.46
▸ CTSD P07339 1/20 0.45
▸ F2 P00734 4/20 0.44
▸ GLP1R P43220 3/20 0.44
▸ SCTR P47872 1/20 0.44

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
SCHEMBL30720018 0.96 BACE1 (0.45) BACE1BACE2CTSDF2GLP1R
SCHEMBL30720019 0.94 GLP1R (0.47) BACE1BACE2CTSDF2GLP1R
SCHEMBL31410884 0.88 BACE1 (0.48) BACE1BACE2CTSDF2GLP1R
SCHEMBL30259072 0.88 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL30320554 0.88 BACE1 (0.51) BACE1BACE2CTSDGLP1RSCTR
SCHEMBL31410826 0.88 GLP1R (0.47) BACE1BACE2F2GLP1RSCTR
SCHEMBL30262179 0.87 GLP1R (0.51) GLP1RSCTR
SCHEMBL30505875 0.87 GLP1R (0.45) GLP1RSCTR
SCHEMBL30353795 0.86 BACE1 (0.47) BACE1F2GLP1R
SCHEMBL31307258 0.86 GLP1R (0.51) BACE1BACE2F2GLP1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586377-A Long-acting abamectin compound 成都奥达生物科技有限公司 2024-02-23 — — CN claimed
WO-2024032454-A1 LONG-ACTING ABALOPARATIDE COMPOUND 成都奥达生物科技有限公司 2024-02-15 — — WO claimed
CN-117586377-A Long-acting abamectin compound 成都奥达生物科技有限公司 2024-02-23 — — CN disclosed
WO-2024032454-A1 LONG-ACTING ABALOPARATIDE COMPOUND 成都奥达生物科技有限公司 2024-02-15 — — WO disclosed
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