SCHEMBL31618959

SCHEMBL31618959

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.51
▸ MME P08473 5/20 0.51
▸ CPA1 P15085 5/20 0.51
▸ ACE2 Q9BYF1 5/20 0.51
▸ CTSD P07339 2/20 0.46
▸ BACE1 P56817 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
SCHEMBL31039959 0.90 MME (0.45) ACEMMECPA1ACE2
SCHEMBL1666817 0.89 MME (0.50) MME
SCHEMBL21794915 0.89 MME (0.50) MME
SCHEMBL1666819 0.89 MME (0.50) MME
Water SCHEMBL29655496 0.88 MME (0.49) MME
SCHEMBL29470189 0.87 OPRD1 (0.46) ACEMMECPA1ACE2
SCHEMBL30536718 0.86 ENPEP (0.39) —
SCHEMBL29577210 0.86 MME (0.47) MME
SCHEMBL30051590 0.86 ACE (0.64) ACEMMECPA1ACE2CTSD
SCHEMBL31147166 0.85 F2 (0.48) CTSD

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-120136965-A Isolated polypeptide of targeted MPP8 protein and application thereof 苏州系统医学研究所 2025-06-13 — — CN disclosed
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