SCHEMBL7941375

SCHEMBL7941375

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPBAR1 Q8TDU6 3/20 0.35
KDM4E B2RXH2 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
SCHEMBL7941373 0.83 GPBAR1 (0.35) GPBAR1
SCHEMBL20629100 0.76 GAA (0.42) GAAL3MBTL1
SCHEMBL18545624 0.74 GAA (0.52) GAAL3MBTL1
SCHEMBL21998634 0.71 GAA (0.48) GAAL3MBTL1KDM4E
SCHEMBL22315405 0.71 GAA (0.48) GAAL3MBTL1KDM4E
SCHEMBL17931204 0.70 GAA (0.37) GAAL3MBTL1
SCHEMBL20850057 0.69 GAA (0.47) GAAL3MBTL1KDM4E
SCHEMBL7187151 0.68 GAA (0.33) GAAL3MBTL1KDM4E
SCHEMBL4960656 0.67 GAA (0.40) GAAL3MBTL1
SCHEMBL13735926 0.66 GAA (0.39) GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239145-B1 USABLE IN ACQUIRING INFORMATION ABOUT ACTIVE OXYGEN OR IN VIVO FREE RADICALS AS BIOLOGICAL IMAGES SUCH AS MAGNETIC RESONANCE IMAGES OR MAGNETOENCEPHALOGRAMS; DAIITCHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2001-05-29 US disclosed
EP-0995740-A1 NOVEL NITROXYL COMPOUNDS AND DRUGS AND REAGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2000-04-26 EP disclosed