SCHEMBL30158408

SCHEMBL30158408

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.61
▸ MME P08473 7/20 0.60
▸ CPA1 P15085 5/20 0.60
▸ ACE2 Q9BYF1 5/20 0.60
▸ ANPEP P15144 2/20 0.55
▸ LNPEP Q9UIQ6 2/20 0.55
▸ CTSD P07339 1/20 0.54
▸ AGTR1 P30556 1/20 0.52

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
SCHEMBL32889357 0.94 ACE (0.62) ACEMMECPA1ACE2CTSD
SCHEMBL30051899 0.92 ACE (0.65) ACEMMECPA1ACE2CTSD
SCHEMBL30541918 0.90 ACE (0.62) ACEMMECPA1ACE2
SCHEMBL29351159 0.90 ACE (0.60) ACEMMECPA1ACE2ANPEP
SCHEMBL25626025 0.88 ACE (0.60) ACEMMECPA1ACE2ANPEP
SCHEMBL29876711 0.88 ACE (0.58) ACEMMECPA1ACE2CTSD
SCHEMBL30799266 0.87 CTSD (0.56) ACEMMECPA1ACE2CTSD
SCHEMBL34467263 0.87 ACE (0.61) ACEMMECPA1ACE2CTSD
SCHEMBL7678279 0.87 ACE (0.65) ACEMMECPA1ACE2ANPEP
SCHEMBL29405922 0.87 CTSD (0.61) ACEMMECPA1ACE2CTSD

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-115651068-A Cyclo-C-casein-isoleucin-phenylpropanoid with hepatoma carcinoma cytotoxicity and alpha-glucosidase inhibition activity and preparation method thereof 安徽农业大学 2023-01-31 — — CN disclosed
Send feedback