SCHEMBL30102898

SCHEMBL30102898

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 9/20 0.61
▸ ECE1 P42892 6/20 0.57
▸ IL1RN P18510 9/20 0.57
▸ ERAP1 Q9NZ08 5/20 0.57
▸ ACE P12821 1/20 0.53
▸ EDNRA P25101 1/20 0.52
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ KISS1R Q969F8 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
SCHEMBL30254765 0.96 ERAP2 (0.63) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30051713 0.95 ECE1 (0.63) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30697236 0.93 MAGI3 (0.58) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30185726 0.93 ERAP2 (0.59) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30415073 0.93 ERAP2 (0.59) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL29822316 0.92 ECE1 (0.58) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30465916 0.92 ERAP2 (0.64) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL32667969 0.91 ERAP2 (0.60) ERAP2ECE1IL1RNERAP1EDNRA
SCHEMBL30465873 0.91 ERAP2 (0.62) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL29533774 0.91 ERAP2 (0.62) ERAP2ECE1IL1RNERAP1ACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636870-B Cyclic color-threo-valyl-leucinyl peptide with hepatoma cytotoxicity and alpha-glucosidase inhibitory activity and preparation method thereof 安徽农业大学 2024-04-30 — — CN disclosed
CN-115636870-B Cyclic color-threo-valyl-leucinyl peptide with hepatoma cytotoxicity and alpha-glucosidase inhibitory activity and preparation method thereof 安徽农业大学 2024-04-30 — — CN disclosed
CN-115636870-A Cyclochromo-threo-valine-leucine peptide with hepatoma cytotoxicity and alpha-glucosidase inhibition activity and preparation method thereof 安徽农业大学 2023-01-24 — — CN disclosed
CN-115636870-A Cyclochromo-threo-valine-leucine peptide with hepatoma cytotoxicity and alpha-glucosidase inhibition activity and preparation method thereof 安徽农业大学 2023-01-24 — — CN disclosed
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