SCHEMBL6550502

SCHEMBL6550502

COc1ccc(C=CC(=O)OCC(O)CN2CCCCC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
NPC1 O15118 1/20 0.66
ACHE P22303 5/20 0.58
BCHE P06276 2/20 0.58
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.51
FDPS P14324 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TTR P02766 1/20 0.50
MAPT P10636 2/20 0.49
NFE2L2 Q16236 1/20 0.49
ABCB1 P08183 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 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
SCHEMBL7673625 0.91 KDM4E (0.59) KDM4EKMT2AMEN1NPC1ACHE
SCHEMBL28748161 0.91 KDM4E (0.59) KDM4EKMT2AMEN1NPC1ACHE
SCHEMBL7683852 0.83 KDM4E (0.56) KDM4EKMT2AMEN1ACHEBCHE
SCHEMBL10075933 0.82 FDPS (0.58) KDM4EKMT2AMEN1ALDH1A1FDPS
SCHEMBL6548351 0.81 ABCB1 (0.67) KDM4EKMT2AMEN1TSHRABCB1
SCHEMBL7680253 0.81 ACHE (0.74) KDM4EKMT2AACHEBCHEALDH1A1
SCHEMBL11903909 0.80 TTR (0.65) KDM4EKMT2AMEN1NPC1ALDH1A1
SCHEMBL1660735 0.80 MET (0.57) KDM4EKMT2AMEN1ALDH1A1FDPS
SCHEMBL1660425 0.80 TNFRSF1A (0.60) KDM4EKMT2AMEN1ALDH1A1FDPS
SCHEMBL1660732 0.80 MET (0.57) KDM4EKMT2AMEN1ALDH1A1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
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 disclosed
EP-1115697-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutato KFT. (HU) 2001-07-18 EP disclosed
WO-2000014054-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutató Kft. (HU) 2000-03-16 WO disclosed