SCHEMBL6036614

SCHEMBL6036614

CC1(C)CC(NC(N)=O)CC(C)(C)N1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HTT P42858 1/20 0.32
MAPK8 P45983 1/20 0.32
MAOB P27338 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.30
G6PD P11413 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
SCHEMBL13172621 0.83 GAA (0.53) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL13172679 0.83 GAA (0.53) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL272472 0.82 GAA (0.51) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL12352252 0.80 GAA (0.50) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL13917689 0.80 GAA (0.50) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL9737086 0.79 KDM4E (0.34) GAAKDM4EKMT2AALDH1A1CA1
SCHEMBL12568166 0.79 GAA (0.47) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL7914274 0.79 GAA (0.43) GAAKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL16161415 0.78 GAA (0.49) GAAKDM4EKMT2AL3MBTL1ALDH1A1
Ethylene SCHEMBL4022004 0.78 GAA (0.49) GAAKDM4EKMT2AL3MBTL1ALDH1A1

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 7 patents. 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
EP-1629120-A1 LIGAND ARRAY ASSAYS EXHIBITING REDUCED FLUORESCENT DYE DEGRADATION AND COMPOSITIONS FOR PRACTICING THE SAME Agilent Technologies, Inc. (US) 2006-03-01 EP disclosed
WO-2005001477-A2 LIGAND ARRAY PROCESSING METHODS THAT INCLUDE A LOW SURFACE TENSION FLUID DEPOSITION STEP AND COMPOSITIONS FOR PRACTICING THE SAME AGILENT TECHNOLOGIES, INC. (US) 2005-01-06 WO disclosed
WO-2004108966-A1 LIGAND ARRAY ASSAYS EXHIBITING REDUCED FLUORESCENT DYE DEGRADATION AND COMPOSITIONS FOR PRACTICING THE SAME AGILENT TECHNOLOGIES INC. (US) 2004-12-16 WO disclosed
US-20040241663-A1 Ligand array processing methods that include a high surface tension fluid deposition step and compositions for practicing the same AGILENT TECHNOLOGIES, INC. 2004-12-02 US disclosed
US-20040241742-A1 Ligand array processing methods that include a low surface tension fluid deposition step and compositions for practicing the same AGILENT TECHNOLOGIES, INC. 2004-12-02 US disclosed
US-20040241880-A1 Ligand array assays having reduced fluorescent dye degradation and compositions for practicing the same AGILENT TECHNOLOGIES, INC. 2004-12-02 US disclosed