SCHEMBL16417853

SCHEMBL16417853

CC(C)(N)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL678213 0.81 GAA (0.44) GAAL3MBTL1ALDH1A1
SCHEMBL18400703 0.74 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL24565069 0.71 GAA (0.36) GAAL3MBTL1
SCHEMBL143973 0.70 GAA (0.48) GAAL3MBTL1ALDH1A1
SCHEMBL5465237 0.70 GAA (0.39) GAAL3MBTL1ALDH1A1
SCHEMBL13811825 0.70 GAA (0.39) GAAL3MBTL1
Hydrochloric Acid SCHEMBL5044550 0.69 GAA (0.46) GAAL3MBTL1ALDH1A1
SCHEMBL21163316 0.69 GAA (0.46) GAAL3MBTL1ALDH1A1
SCHEMBL1395729 0.69 ALDH1A1 (0.44) ALDH1A1TDP1
SCHEMBL879602 0.67 GAA (0.50) GAAL3MBTL1ALDH1A1

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
US-8940444-B2 Hybrid radical energy storage device and method of making ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2015-01-27 US disclosed