SCHEMBL30567416

SCHEMBL30567416

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 12/20 0.51
▸ ERAP2 Q6P179 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MPO P05164 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HIF1A Q16665 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
SCHEMBL32677405 0.95 MAGI3 (0.52) ACEECE1ERAP2KMT2A
SCHEMBL29519434 0.92 KDM4E (0.58) ACEECE1KDM4EMEN1LMNA
SCHEMBL7047253 0.92 KDM4E (0.58) ACEECE1KDM4EMEN1LMNA
SCHEMBL16057308 0.92 KDM4E (0.58) ACEECE1KDM4EMEN1LMNA
SCHEMBL17274594 0.92 KDM4E (0.58) ACEECE1KDM4EMEN1LMNA
SCHEMBL30567414 0.92 ACE (0.55) ACEECE1ERAP2
SCHEMBL29849002 0.90 ACE (0.52) ACEECE1ERAP2
Hydrochloric Acid SCHEMBL11220500 0.90 ACE (0.56) ACEECE1
SCHEMBL29779860 0.90 ERAP2 (0.54) ECE1ERAP2
SCHEMBL31259936 0.89 ACE (0.57) ACEECE1KDM4EMEN1LMNA

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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