SCHEMBL1406283

SCHEMBL1406283

CCOC(=O)CCCC(C)(C(C)=O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TRPA1 O75762 1/20 0.39
DGKA P23743 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38

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
SCHEMBL9263994 0.91 CYP1A2 (0.47) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1406319 0.88 CYP1A2 (0.45) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL304464 0.84 CYP4F2 (0.46) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL26201486 0.82 DGKA (0.42) CYP1A2GAAALDH1A1HSD17B10ALOX15
SCHEMBL8165697 0.82 CYP1A2 (0.57) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL25697482 0.81 TSHR (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL13688695 0.80 CYP1A2 (0.47) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL27526995 0.80 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL27595375 0.79 DGKA (0.59) ALDH1A1TSHRDGKALMNAKMT2A
SCHEMBL18642720 0.78 CYP1A2 (0.59) CYP1A2NR1I2PGRADORA3PTGS2

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 8 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
EP-1490412-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003082929-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-09 WO disclosed