SCHEMBL8378100

SCHEMBL8378100

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.77
CMA1 P23946 6/20 0.65
F2 P00734 1/20 0.62
PRSS1 P07477 1/20 0.62
ACE2 Q9BYF1 5/20 0.60
KLK5 Q9Y337 1/20 0.58
KMT2A Q03164 1/20 0.57

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
SCHEMBL22409423 1.00 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL5900839 1.00 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL5900836 1.00 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL3692081 1.00 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL3692085 1.00 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL22961962 0.96 ACE (0.72) ACECMA1F2PRSS1ACE2
SCHEMBL3693527 0.95 ACE (0.70) ACECMA1F2PRSS1ACE2
SCHEMBL3693522 0.95 ACE (0.70) ACECMA1F2PRSS1ACE2
SCHEMBL6412059 0.92 ACE (0.66) ACECMA1F2PRSS1KLK5
SCHEMBL7087290 0.92 ACE (0.66) ACECMA1F2PRSS1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN claimed
CN-112321475-B Gamma-amino acid analogue and synthetic method thereof 四川大学 2022-06-10 CN claimed
US-11913052-B2 Cell-free protein synthesis driven metabolic engineering NORTHWESTERN UNIVERSITY (US) 2024-02-27 US disclosed
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN disclosed
CN-115477685-A Application of selenium-containing polypeptide compound in preparation of antibacterial drugs 浙江工业大学 2022-12-16 CN disclosed
CN-115475228-A Application of oligopeptide containing L-selenomethionine in preparation of antitumor drugs 浙江工业大学 2022-12-16 CN disclosed
CN-112321475-B Gamma-amino acid analogue and synthetic method thereof 四川大学 2022-06-10 CN disclosed
US-20200291445-A1 CELL-FREE PROTEIN SYNTHESIS DRIVEN METABOLIC ENGINEERING NORTHWESTERN UNIVERSITY 2020-09-17 US disclosed
US-5932567-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0080283-B1 N-CARBOXYALKYLPROLINE-CONTAINING TRIPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1986-01-29 EP disclosed
US-4456594-A N-Carboxyalkylproline-containing tripeptides SMITHKLINE BECKMAN CORPORATION (US) 1984-06-26 US disclosed
EP-0080283-A1 N-carboxyalkylproline-containing tripeptides SMITHKLINE BECKMAN CORPORATION (US) 1983-06-01 EP disclosed