SCHEMBL7682835

SCHEMBL7682835

COc1ccc(C=CC(=O)OCC(O)CNC(C)(C)C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
KMT2A Q03164 4/20 0.52
FDPS P14324 2/20 0.52
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
TTR P02766 1/20 0.52
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 2/20 0.48
MAOB P27338 1/20 0.48
JAK2 O60674 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL29711664 0.89 FDPS (0.64) NFE2L2KMT2AFDPSALDH1A1KDM4E
SCHEMBL10075933 0.83 FDPS (0.58) NFE2L2KMT2AFDPSTTRALDH1A1
SCHEMBL8675291 0.83 FDPS (0.61) NFE2L2KMT2AFDPSALDH1A1KDM4E
SCHEMBL29426332 0.83 FDPS (0.61) NFE2L2KMT2AFDPSALDH1A1KDM4E
SCHEMBL11903912 0.81 TTR (0.65) NFE2L2KMT2AFDPSTTRALDH1A1
SCHEMBL1660732 0.81 MET (0.57) NFE2L2KMT2AFDPSTTRALDH1A1
SCHEMBL11903909 0.81 TTR (0.65) NFE2L2KMT2AFDPSTTRALDH1A1
SCHEMBL1660735 0.81 MET (0.57) NFE2L2KMT2AFDPSTTRALDH1A1
SCHEMBL1660737 0.81 MET (0.57) NFE2L2KMT2AFDPSTTRALDH1A1
SCHEMBL1660425 0.81 TNFRSF1A (0.60) NFE2L2KMT2AFDPSTTRALDH1A1

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-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US claimed
CN-1211353-C Unsaturated hydroximic acid derivatives as PARP inhibitors GENE KUTAT KFT N (HU) 2005-07-20 CN disclosed