SCHEMBL30567428

SCHEMBL30567428

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.61
▸ ECE1 P42892 11/20 0.57
▸ ERAP2 Q6P179 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAGI3 Q5TCQ9 1/20 0.55
▸ CTSC P53634 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ MMP8 P22894 1/20 0.55

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
SCHEMBL29750422 0.92 ACE (0.67) ACEECE1ERAP2
SCHEMBL29861670 0.91 CTSC (0.58) ACEECE1ERAP2KDM4EAPAF1
SCHEMBL29861416 0.91 ACE (0.61) ACEECE1CTSC
SCHEMBL21641792 0.91 ACE (0.73) ACEECE1ERAP2
SCHEMBL21641793 0.91 ACE (0.73) ACEECE1ERAP2
SCHEMBL21641791 0.91 ACE (0.73) ACEECE1ERAP2
SCHEMBL29380886 0.91 ACE (0.73) ACEECE1ERAP2
SCHEMBL30465908 0.90 ACE (0.64) ACEECE1ERAP2KDM4EAPAF1
SCHEMBL23417822 0.90 CTSC (0.56) ACEECE1ERAP2KDM4EAPAF1
SCHEMBL29849173 0.89 ECE1 (0.62) ACEECE1ERAP2MMP9MMP8

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-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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