SCHEMBL10052255

SCHEMBL10052255

CCOC(=O)C(CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1)=C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL14522983 0.90 GAA (0.40) GAAHTTKMT2A
SCHEMBL14280274 0.86 ALOX15 (0.41) GAAALOX15KMT2AL3MBTL1ALDH1A1
SCHEMBL14315016 0.83 GAA (0.36) GAAHTTKMT2AALDH1A1
SCHEMBL7877418 0.77 GAA (0.43) GAAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL272468 0.77 GAA (0.47) GAAHTTALOX15KMT2AL3MBTL1
Butane SCHEMBL10595891 0.75 GAA (0.43) GAAHTTALOX15KMT2AL3MBTL1
SCHEMBL7873193 0.74 GAA (0.41) GAAHTTALOX15KMT2AL3MBTL1
SCHEMBL4408313 0.72 GAA (0.43) GAAHTTALOX15KMT2AL3MBTL1
SCHEMBL7877415 0.72 SMYD3 (0.42) GAAHTTALOX15L3MBTL1ALDH1A1
SCHEMBL1150065 0.72 GAA (0.46) GAAHTTALOX15KMT2AL3MBTL1

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
EP-1429723-B1 TREATING EFFECTS OF EXCESSIVE REACTIVE OXYGEN SPECIES SYNZYME TECHNOLOGIES LLC (US) 2012-05-02 EP disclosed
US-7229629-B2 Carboxylate-gated-nitroxide (CGN) compounds and compositions and methods of use thereof SYNZYME TECHNOLOGIES, LLC (US) 2007-06-12 US disclosed
US-7229629-B2 Carboxylate-gated-nitroxide (CGN) compounds and compositions and methods of use thereof SYNZYME TECHNOLOGIES, LLC (US) 2007-06-12 US disclosed