SCHEMBL1406452

SCHEMBL1406452

CCOC(=O)CCC(C(C)=O)(C(C)=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PKM P14618 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1406411 0.96 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL27803622 0.87 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14600833 0.82 MEN1 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL6470018 0.82 MEN1 (0.36) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9015635 0.80 GAA (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1406291 0.79 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7860159 0.79 MEN1 (0.57) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1406293 0.79 MEN1 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28718208 0.78 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28718209 0.78 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 EP disclosed
EP-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 EP disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 US disclosed