SCHEMBL30567414

SCHEMBL30567414

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ ECE1 P42892 12/20 0.52
▸ ERAP2 Q6P179 2/20 0.52
▸ IL1RN P18510 1/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.50
▸ MAGI3 Q5TCQ9 1/20 0.49

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
SCHEMBL31073596 0.96 ACE (0.59) ACEECE1ERAP2IL1RNERAP1
SCHEMBL29655540 0.93 ACE (0.55) ACEECE1ERAP2IL1RNERAP1
SCHEMBL30084581 0.92 MAGI3 (0.51) ACEECE1ERAP2IL1RNERAP1
SCHEMBL30130525 0.92 ACE (0.55) ACEECE1ERAP2
SCHEMBL30567416 0.92 ACE (0.54) ACEECE1ERAP2
SCHEMBL29750395 0.91 ACE (0.59) ACEECE1ERAP2
SCHEMBL29750422 0.90 ACE (0.67) ACEECE1ERAP2
SCHEMBL30838788 0.89 ACE (0.61) ACEECE1ERAP2
SCHEMBL29849002 0.88 ACE (0.52) ACEECE1ERAP2IL1RNERAP1
SCHEMBL32677405 0.87 MAGI3 (0.52) ACEECE1ERAP2MAGI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789734-A Oligopeptide group extracted from crayfish shells, extraction method and application thereof 奇明达(北京)植物药物技术开发有限公司 2023-09-22 — — CN claimed
CN-116789734-A Oligopeptide group extracted from crayfish shells, extraction method and application thereof 奇明达(北京)植物药物技术开发有限公司 2023-09-22 — — CN disclosed
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