SCHEMBL18545708

SCHEMBL18545708

CC1(C)C[C@H](N)C(C)(C)N1O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL377190 1.00 GAA (0.56) GAAL3MBTL1ALDH1A1ALOX15KDM4E
SCHEMBL10597667 0.76 GAA (0.41) GAAL3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL13060033 0.76 GAA (0.52) GAAL3MBTL1
Hydrochloric Acid SCHEMBL7607254 0.75 GAA (0.40) GAAL3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL143973 0.74 GAA (0.48) GAAL3MBTL1ALDH1A1ALOX15KDM4E
SCHEMBL16564662 0.73 GAA (0.39) GAAL3MBTL1
SCHEMBL14165287 0.72 GAA (0.31) GAAL3MBTL1
SCHEMBL18545631 0.72 GAA (0.58) GAAL3MBTL1ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL5044550 0.72 GAA (0.46) GAAL3MBTL1ALDH1A1ALOX15KDM4E
SCHEMBL7636857 0.72 GAA (0.58) GAAL3MBTL1ALDH1A1KDM4EHSD17B10

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
WO-2017031239-A1 NITROXIDE CONTAINING AMYLOID BINDING AGENTS FOR IMAGING AND THERAPEUTIC USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-23 WO disclosed