SCHEMBL13227482

SCHEMBL13227482

CC1(C)CC(OC#N)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.36

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
SCHEMBL14165374 0.81
SCHEMBL13227468 0.79 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL12259035 0.75 GAA (0.46) GAAL3MBTL1HTT
SCHEMBL313828 0.73 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL271984 0.73 GAA (0.44) GAAL3MBTL1HTT
SCHEMBL18560467 0.73 GAA (0.44) GAAL3MBTL1HTT
SCHEMBL1433912 0.71 GAA (0.43) GAAL3MBTL1
SCHEMBL18627275 0.71 GAA (0.43) GAAL3MBTL1HTT
SCHEMBL696671 0.71 GAA (0.43) GAAL3MBTL1HTT
SCHEMBL15374809 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772325-B2 Thermoplastic elastomer composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-08-10 US disclosed
US-20090292044-A1 MODIFIED DIENE-BASED RUBBER AND RUBBER COMPOSITION CONTAINING THE SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2009-11-26 US disclosed
US-20080262147-A1 Modified by a nitroxide-free radical stable in the presence of oxygen at an ordinary temperature (a 2,2,6,6-tetramethyl piperidinyloxy derivative) and an organic peroxide crosslinking agent; improved cost efficiency; high tensile properties THE YOKOHAMA RUBBER CO., LTD. (JP) 2008-10-23 US disclosed