SCHEMBL2942503

SCHEMBL2942503

CCCCCCCCCCCCNC(=O)CC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 7/20 0.61
FAAH O00519 3/20 0.61
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52

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
SCHEMBL5696707 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6655155 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL12323494 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL11581304 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14890560 0.98 CASP2 (0.64) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL1826375 0.98 CASP2 (0.63) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL10605642 0.91 CASP2 (0.54) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL27253415 0.91 KDM4E (0.59) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL10682467 0.91 KDM4E (0.59) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL8119349 0.89 CASP2 (0.55) CASP2NAAAEPHX1FAAHMEN1

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-1980593-B1 Colourant compounds for phase change inks XEROX CORP (US) 2012-08-15 EP disclosed
US-7749315-B2 Contaaining polymeric dye or dimer thereof XEROX CORPORATION (US) 2010-07-06 US disclosed
EP-1980593-A2 Colourant compounds for phase change inks Xerox Corporation (US) 2008-10-15 EP disclosed
US-20080245264-A1 Phase change inks containing colorant compounds XEROX CORPORATION. 2008-10-09 US disclosed
US-7381831-B1 Colorant compounds XEROX CORPORATION (US) 2008-06-03 US disclosed
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118645-A2 Method of making hot melt printing inks Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed