SCHEMBL29877007

SCHEMBL29877007

C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.55
ACE P12821 3/20 0.54
CPA1 P15085 3/20 0.54
ACE2 Q9BYF1 3/20 0.54
BACE1 P56817 3/20 0.52

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
SCHEMBL31174325 0.95 MME (0.60) MMEACECPA1ACE2
SCHEMBL1864186 0.95 MME (0.60) MMEACECPA1ACE2
SCHEMBL233444 0.95 MME (0.60) MMEACECPA1ACE2
SCHEMBL233445 0.95 MME (0.60) MMEACECPA1ACE2
SCHEMBL30530869 0.92 LTA4H (0.52) MMEACEBACE1
SCHEMBL30735528 0.92 MME (0.57) MMEACECPA1ACE2
SCHEMBL4322389 0.91 BACE1 (0.58) MMEACECPA1ACE2BACE1
SCHEMBL4322379 0.91 BACE1 (0.58) MMEACECPA1ACE2BACE1
SCHEMBL30051124 0.91 BACE1 (0.58) MMEACECPA1ACE2BACE1
SCHEMBL30799773 0.91 MME (0.58) MMEBACE1

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-118853640-A Carbapenem drug-resistant gene and application thereof 郑州大学 2024-10-29 CN disclosed
CN-113024639-B Cyclic peptide compounds and preparation method and application thereof 中国科学院南海海洋研究所 2022-10-14 CN disclosed