SCHEMBL23355264

SCHEMBL23355264

C[C](C)CC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 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
SCHEMBL13411242 0.83 GAA (0.39) GAAL3MBTL1KDM4EKMT2A
SCHEMBL316381 0.78 GAA (0.39) GAAL3MBTL1KDM4EKMT2A
SCHEMBL442346 0.77 GAA (0.38) GAAL3MBTL1KDM4EKMT2A
SCHEMBL19758091 0.76 GAA (0.44) GAAL3MBTL1KDM4E
SCHEMBL7632202 0.76 GAA (0.44) GAAL3MBTL1KDM4E
SCHEMBL4443628 0.76 GAA (0.44) GAAL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL4958463 0.74 GAA (0.43) GAAL3MBTL1KDM4EKMT2A
SCHEMBL13685981 0.74 GAA (0.39) GAAL3MBTL1KDM4E
SCHEMBL13979303 0.74 GAA (0.39) GAAL3MBTL1KDM4E
SCHEMBL14495290 0.74 GAA (0.35) GAAL3MBTL1KDM4EKMT2A

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-3820846-A1 COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER Ecolab USA, Inc. (US) 2021-05-19 EP disclosed