SCHEMBL10170136

SCHEMBL10170136

CN(C(c1ccccc1)C(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HTR2A P28223 3/20 0.40
HRH1 P35367 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.37
KCNA5 P22460 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL6721043 0.88 PTGS2 (0.43)
SCHEMBL14663983 0.82 KCNA5 (0.46) AOC3KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL9320598 0.82 KCNA5 (0.46) AOC3KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL8907881 0.82 KCNA5 (0.46) AOC3KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL28943433 0.80 AOC3 (0.38) AOC3KDM4EATMSLC6A2SLC6A4
SCHEMBL20145962 0.78 AOC3 (0.50) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL13884286 0.77 AOC3 (0.45) AOC3KDM4EATMSLC6A2SLC6A4
SCHEMBL23033179 0.77 AOC3 (0.40) AOC3KDM4EATMSLC6A2SLC6A4
SCHEMBL10170218 0.77 AOC3 (0.42) AOC3KDM4EATMSLC6A2SLC6A4
SCHEMBL15940829 0.77 ATM (0.37) AOC3KDM4EATMSLC6A2SLC6A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2169018-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2012-01-18 EP disclosed
EP-2169022-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2011-11-16 EP disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2169018-A2 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
EP-2169022-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
EP-1952982-A1 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM Corporation (JP) 2008-08-06 EP disclosed