SCHEMBL1406673

SCHEMBL1406673

CCCCOC(=O)CCC(C)(C(C)=O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NAAA Q02083 1/20 0.44
HTR2C P28335 1/20 0.44
ATM Q13315 1/20 0.41
DNM1 Q05193 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PAM P19021 2/20 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
SCHEMBL1406434 0.93 NAAA (0.55) DGKAALDH1A1NAAAHTR2CDNM1
SCHEMBL1406708 0.93 NAAA (0.55) DGKAALDH1A1NAAAHTR2CDNM1
SCHEMBL27595375 0.86 DGKA (0.59) DGKAALDH1A1NAAAHTR2CDNM1
SCHEMBL12591201 0.83 DGKA (0.53) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL1406299 0.81 MGLL (0.38) DGKATSHRMAPT
SCHEMBL27321329 0.81 DGKA (0.52) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL9961615 0.81 DGKA (0.52) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL1406319 0.81 CYP1A2 (0.45) ALDH1A1TSHR
SCHEMBL9670837 0.80 DGKA (0.50) DGKAALDH1A1NAAAHTR2CATM
SCHEMBL4461667 0.80 DGKA (0.50) DGKAALDH1A1NAAAHTR2CATM

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 5 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
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