SCHEMBL1406708

SCHEMBL1406708

CCCCCCCCOC(=O)CCC(C)(C(C)=O)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
DGKA P23743 1/20 0.55
HTR2C P28335 1/20 0.53
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
DNM1 Q05193 1/20 0.46
TSHR P16473 2/20 0.46
EPHX1 P07099 1/20 0.43
PAM P19021 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CES2 O00748 1/20 0.41

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 1.00 NAAA (0.55) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL1406673 0.93 DGKA (0.48) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889178 0.84 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889198 0.84 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889132 0.84 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889194 0.84 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL889141 0.84 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL20673382 0.80 NAAA (0.55) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL18995 0.80 NAAA (0.75) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL187664 0.80 NAAA (0.75) NAAADGKAHTR2CPRSS1PRSS2

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 7 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
CN-100473667-C Photoinitiator, novel compound and photocurable composition DAINIPPON INK & CHEMICALS (JP) 2009-04-01 CN 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
CN-1642992-A Photoinitiator, photocurable composition of novel compound DAINIPPON INK & CHEMICALS (JP) 2005-07-20 CN 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