SCHEMBL7080599

SCHEMBL7080599

CCOC(CC)(NC(C)=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.35
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL28025798 0.79 PKM (0.39) PKMKDM4ETHRBHTTMAPT
SCHEMBL3376906 0.77 ALDH1A1 (0.38) PKMKDM4ETHRBMEN1KMT2A
SCHEMBL1263958 0.75 CA1 (0.38) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL9913289 0.70 KDM4E (0.39) PKMKDM4ETHRBHTTMAPT
SCHEMBL29201875 0.69
SCHEMBL5606428 0.68 PKM (0.61) PKMKDM4ETHRBHTTMAPT
SCHEMBL14366070 0.67 KDM4E (0.40) PKMKDM4ETHRBHTTMAPT
SCHEMBL16125661 0.66 KDM4E (0.44) PKMKDM4ETHRBHTTMAPT
SCHEMBL8155896 0.65
SCHEMBL12064248 0.65 PKM (0.75) PKMKDM4ETHRBHTTMAPT

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
WO-2003068167-A2 NOVEL TREATMENT FOR PATHOLOGIES ASSOCIATED WITH OXIDATIVE DAMAGE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-08-21 WO disclosed