SCHEMBL6550490

SCHEMBL6550490

COc1ccc(/C=C/C(=O)O)c(CC(O)CN2CCCCC2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
ACHE P22303 2/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ABCB1 P08183 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL6550497 1.00 POLB (0.45) POLBMAPTTP53ACHEKMT2A
SCHEMBL7673620 0.90 ALDH1A1 (0.47) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL7673613 0.90 ALDH1A1 (0.47) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL7683841 0.84 MEN1 (0.49) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7683845 0.84 MEN1 (0.49) POLBKMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6548838 0.83 MAPT (0.40) POLBMAPTTP53KMT2AKDM4E
SCHEMBL7680247 0.82 ACHE (0.56) POLBMAPTACHEKMT2AKDM4E
SCHEMBL7680249 0.82 ACHE (0.56) POLBMAPTACHEKMT2AKDM4E
Hydrochloric Acid SCHEMBL7770606 0.77 MEN1 (0.39) POLBMAPTTP53KMT2AKDM4E
SCHEMBL6550737 0.77 NFE2L2 (0.40) TP53KDM4ENPC1ALDH1A1HPGD

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