SCHEMBL4661867

SCHEMBL4661867

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
NOS1 P29475 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
DGAT1 O75907 1/20 0.31
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL8660482 0.86 DGAT1 (0.34) NOS1NOS3NOS2DGAT1SLC7A5
SCHEMBL3080102 0.85 MAPK1 (0.41) MAPK1NOS1HRH2HRH1NOS3
SCHEMBL522783 0.85 MAPK1 (0.41) MAPK1NOS1HRH2HRH1NOS3
SCHEMBL522812 0.85 MAPK1 (0.41) MAPK1NOS1HRH2HRH1NOS3
Hydrochloric Acid SCHEMBL318950 0.83 MAPK1 (0.40) MAPK1NOS1HRH2HRH1NOS3
Hydrochloric Acid SCHEMBL522784 0.83 MAPK1 (0.40) MAPK1NOS1HRH2HRH1NOS3
Hydrochloric Acid SCHEMBL522782 0.83 MAPK1 (0.40) MAPK1NOS1HRH2HRH1NOS3
SCHEMBL5692825 0.81 DGAT1 (0.32) NOS1NOS3NOS2DGAT1SLC7A5
SCHEMBL20503360 0.81 DGAT1 (0.32) NOS1NOS3NOS2DGAT1SLC7A5
SCHEMBL6837920 0.80 MEN1 (0.34) NOS1NOS3NOS2DGAT1SLC7A5

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
EP-2004670-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AiCuris GmbH & Co. KG (DE) 2008-12-24 EP disclosed
WO-2007118693-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed