SCHEMBL30697236

SCHEMBL30697236

CC[C@H](C)[C@H](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)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.58
▸ EDNRA P25101 1/20 0.57
▸ ERAP2 Q6P179 3/20 0.54
▸ ECE1 P42892 6/20 0.54
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ IL1RN P18510 2/20 0.50
▸ ERAP1 Q9NZ08 2/20 0.50
▸ ACE P12821 2/20 0.50

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
SCHEMBL30050836 0.94 EDNRA (0.63) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30093051 0.94 EDNRA (0.63) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30093406 0.93 EDNRA (0.57) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30102898 0.93 ERAP2 (0.61) MAGI3EDNRAERAP2ECE1IL1RN
SCHEMBL30660136 0.93 EDNRA (0.58) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30092892 0.92 EDNRA (0.68) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30092989 0.92 EDNRA (0.68) MAGI3EDNRAERAP2ECE1KMT2A
SCHEMBL30051713 0.91 ECE1 (0.63) ERAP2ECE1KMT2AIL1RNERAP1
SCHEMBL30093046 0.90 EDNRA (0.69) EDNRAERAP2ECE1KMT2AL3MBTL1
SCHEMBL30254765 0.90 ERAP2 (0.63) EDNRAERAP2ECE1KMT2AIL1RN

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-113264987-B Cyclic color-threo-valyl-isoleucyl-leucinyl peptide with antifungal and free radical scavenging activities and preparation method thereof 安徽农业大学 2023-11-17 — — CN disclosed
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