SCHEMBL30455390

SCHEMBL30455390

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 14/20 0.60
▸ MME P08473 2/20 0.52
▸ ACE P12821 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ BACE1 P56817 2/20 0.50
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49

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
SCHEMBL31134428 0.94 CTSD (0.60) CTSDBACE1
SCHEMBL30455239 0.92 CTSD (0.57) CTSDBACE1
SCHEMBL30051590 0.90 ACE (0.64) CTSDMMEACECPA1ACE2
SCHEMBL3202596 0.89 CTSD (0.64) CTSDMMEACECPA1ACE2
SCHEMBL30050940 0.89 CTSD (0.64) CTSDMMEACECPA1ACE2
SCHEMBL30052924 0.89 CTSD (0.64) CTSDMMEACECPA1ACE2
SCHEMBL31590754 0.88 MME (0.52) CTSDMMEACECPA1ACE2
SCHEMBL31042838 0.87 CTSD (0.60) CTSDMMEACECPA1ACE2
SCHEMBL29732087 0.87 CTSD (0.60) CTSDMMEACECPA1ACE2
SCHEMBL30311017 0.87 MME (0.57) CTSDMMEACECPA1ACE2

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
WO-2023120844-A1 COMPOSITION FOR MASS PROLIFERATING NATURAL KILLER CELLS, COMPRISING NOVEL PEPTIDE, AND METHOD FOR MASS PROLIFERATING NATURAL KILLER CELLS BY USING SAME 엔케이젠 주식회사 2023-06-29 — — WO disclosed
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