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Sugi Predict / Compounds / SCHEMBL30524338

SCHEMBL30524338

SCHEMBL30524338

CC(C)[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 10/20 0.38
▸ PSEN2 P49810 10/20 0.38
▸ APH1B Q8WW43 10/20 0.38
▸ NCSTN Q92542 10/20 0.38
▸ APH1A Q96BI3 10/20 0.38
▸ PSENEN Q9NZ42 10/20 0.38
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ REN P00797 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ GLP1R P43220 1/20 0.34
▸ SCTR P47872 1/20 0.34
▸ CMA1 P23946 1/20 0.34

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
SCHEMBL30437554 0.98 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30343346 0.97 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30524340 0.96 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30250211 0.94 OPRD1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL34461945 0.94 REN (0.40) OPRD1RENCASP3CTSD
SCHEMBL31002038 0.92 OPRM1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30437059 0.92 REN (0.39) OPRD1RENCASP3CTSD
SCHEMBL30384193 0.91 ACE (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL34461946 0.91 REN (0.39) OPRD1REN
SCHEMBL30863518 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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-116693653-B Preparation method for large-scale production of somalupeptide 杭州湃肽生化科技有限公司 2023-10-31 — — CN disclosed
CN-116693653-A Preparation method for large-scale production of somalupeptide 杭州湃肽生化科技有限公司 2023-09-05 — — CN disclosed
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