SCHEMBL30084581

SCHEMBL30084581

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.51
▸ EDNRA P25101 1/20 0.48
▸ MME P08473 1/20 0.48
▸ ACE P12821 2/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ GHSR Q92847 1/20 0.47
▸ ERAP2 Q6P179 3/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ IL1RN P18510 1/20 0.47
▸ ECE1 P42892 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30567414 0.92 ACE (0.55) MAGI3ACEERAP2ERAP1IL1RN
SCHEMBL30084578 0.89 GHSR (0.52) MAGI3EDNRAGHSR
SCHEMBL31073596 0.88 ACE (0.59) ACEERAP2ERAP1IL1RNECE1
SCHEMBL32677405 0.88 MAGI3 (0.52) MAGI3EDNRAACEERAP2ECE1
SCHEMBL30052487 0.86 ACE (0.63) MMEACELTA4HERAP2ECE1
SCHEMBL30053126 0.86 ACE (0.63) MMEACELTA4HERAP2ECE1
SCHEMBL30130525 0.86 ACE (0.55) ACEERAP2ECE1
SCHEMBL30567416 0.86 ACE (0.54) ACEERAP2ECE1KMT2A
SCHEMBL29655540 0.85 ACE (0.55) ACEERAP2ERAP1IL1RNECE1
SCHEMBL29750395 0.85 ACE (0.59) ACEERAP2ECE1

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-111269290-B Preparation method of sturgeon anti-inflammatory peptide 贵州翁松鲟鱼加工有限公司 2022-11-08 — — CN disclosed
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