SCHEMBL2367362

SCHEMBL2367362

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL27919760 0.87 SLC7A5 (0.38) NOS1NOS3NOS2CYP2D6CA1
SCHEMBL977470 0.87 SLC7A5 (0.38) NOS1NOS3NOS2CYP2D6CA1
SCHEMBL10662683 0.85 NOS1 (0.35) NOS1NOS3NOS2
SCHEMBL10659347 0.85 NOS1 (0.35) NOS1NOS3NOS2
SCHEMBL6361064 0.85 NOS1 (0.43) NOS1NOS3NOS2CYP2D6CA1
SCHEMBL6360497 0.85 NOS1 (0.43) NOS1NOS3NOS2CYP2D6CA1
SCHEMBL29104750 0.79 ELANE (0.32) NOS1NOS3NOS2
SCHEMBL6954465 0.79 CYP3A4 (0.37) NOS1NOS3NOS2CYP2D6CA1
SCHEMBL6950879 0.79 CYP3A4 (0.37) NOS1NOS3NOS2CYP2D6CA1
SCHEMBL1926084 0.79 CYP3A4 (0.37) NOS1NOS3NOS2CYP2D6CA1

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
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed