SCHEMBL13009231

SCHEMBL13009231

CC1(C)CC(=O)CC(C)(C)N1OC1CC2CCC=CC21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13008264 0.79
SCHEMBL6813743 0.71 GAA (0.35) GAAMEN1KMT2A
SCHEMBL2019127 0.71 GAA (0.35) GAAMEN1KMT2A
SCHEMBL13130619 0.68 GAA (0.35) GAAMEN1KMT2A
SCHEMBL646063 0.67 GAA (0.36) GAAMEN1KMT2A
SCHEMBL647198 0.63 GAA (0.43) GAAMEN1KMT2A
SCHEMBL1527711 0.60 GAA (0.36) GAAMEN1KMT2A
SCHEMBL8407499 0.59 GAA (0.33) GAAMEN1KMT2A
Acetic Acid SCHEMBL3796423 0.57 GAA (0.45) GAAMEN1KMT2A
SCHEMBL13008713 0.56 GAA (0.40) GAAMEN1KMT2A

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-2035381-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2010-12-29 EP disclosed