SCHEMBL7683852

SCHEMBL7683852

COc1ccc(C=CC(=O)OCC(O)CN2CCc3ccccc3C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
PRMT5 O14744 13/20 0.54
WDR77 Q9BQA1 12/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BCHE P06276 4/20 0.50
MAOA P21397 4/20 0.50
ACHE P22303 4/20 0.50
MAOB P27338 4/20 0.50

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
SCHEMBL6550502 0.83 KDM4E (0.66) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6548685 0.83 PRMT5 (0.50) KDM4EALDH1A1MAPTPRMT5WDR77
SCHEMBL6548688 0.83 PRMT5 (0.50) KDM4EALDH1A1MAPTPRMT5WDR77
SCHEMBL28748161 0.82 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7673625 0.82 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7677798 0.79 PRMT5 (0.59) PRMT5WDR77MEN1KMT2A
SCHEMBL7677794 0.79 PRMT5 (0.59) PRMT5WDR77MEN1KMT2A
SCHEMBL11903909 0.79 TTR (0.65) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL11903912 0.79 TTR (0.65) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL12731827 0.79 TTR (0.65) KDM4EALDH1A1MAPTHPGDMEN1

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
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