SCHEMBL31522797

SCHEMBL31522797

CC[C@H](C)[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)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)(CC)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 4/20 0.40
▸ REN P00797 4/20 0.39
▸ PSEN1 P49768 8/20 0.38
▸ PSEN2 P49810 8/20 0.38
▸ APH1B Q8WW43 8/20 0.38
▸ NCSTN Q92542 8/20 0.38
▸ APH1A Q96BI3 8/20 0.38
▸ PSENEN Q9NZ42 8/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ CCKAR P32238 3/20 0.37
▸ CCKBR P32239 3/20 0.37
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL31522801 0.95 ABCB1 (0.39) CTSDRENABCB1CCKARCCKBR
SCHEMBL38652065 0.95 PSEN1 (0.43) CTSDRENPSEN1PSEN2APH1B
SCHEMBL31522796 0.93 PSMB1 (0.38) CTSDRENPSEN1PSEN2APH1B
SCHEMBL31689803 0.90 PSEN1 (0.42) CTSDRENPSEN1PSEN2APH1B
SCHEMBL31518747 0.90 PSEN1 (0.47) CTSDRENPSEN1PSEN2APH1B
SCHEMBL31518743 0.90 PSEN1 (0.47) CTSDRENPSEN1PSEN2APH1B
SCHEMBL31247966 0.90 OPRM1 (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL31247960 0.90 OPRD1 (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL31247969 0.89 ABCB1 (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL31312605 0.88 PSEN1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756913-B Novel long-acting polypeptide compound, composition and application thereof 内蒙古博睿精创科技有限公司 2025-05-09 — — CN disclosed
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