SCHEMBL6550122

SCHEMBL6550122

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)C=Cc1ccccc1)CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
CCKAR P32238 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SCN1A P35498 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL23771744 0.81 ALDH1A1 (0.54) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL6550118 0.77 GAA (0.50) GAAMEN1KMT2ALMNADRD4
SCHEMBL6550112 0.77 GAA (0.50) GAAMEN1KMT2ALMNADRD4
SCHEMBL23771810 0.77 PRKCA (0.55) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL23771745 0.76 LMNA (0.52) MEN1KMT2ALMNA
SCHEMBL6548351 0.76 ABCB1 (0.67) MEN1KMT2ACYP2D6ABCB1HSP90AA1
SCHEMBL23771743 0.76 PRKCA (0.60) MEN1KMT2ALMNAALDH1A1PRKCA
SCHEMBL23771809 0.76 PRKCA (0.60) MEN1KMT2ALMNAALDH1A1PRKCA
SCHEMBL14760078 0.75 PRKCA (0.68) GAALMNAALDH1A1PRKCAPRKCE
SCHEMBL13018349 0.75 PRKCA (0.68) GAALMNAALDH1A1PRKCAPRKCE

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