SCHEMBL1406459

SCHEMBL1406459

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12809432 0.91 CYP1A2 (0.33) CYP1A2GAAMGAMSIMGAM2
SCHEMBL12809521 0.90 CYP1A2 (0.33) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1406291 0.87 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1406354 0.84 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14383930 0.82 THRB (0.45) ALDH1A1SMN1; SMN2THRBTSHR
SCHEMBL1406218 0.82 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14589541 0.81 THRB (0.47) CYP1A2ALDH1A1CYP4F2CYP4A11LMNA
SCHEMBL1406293 0.79 MEN1 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14600835 0.79 USP2 (0.32) LMNA
SCHEMBL14600833 0.78 MEN1 (0.47) 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