SCHEMBL3415013

SCHEMBL3415013

CN(C)CCOCCOC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
USP2 O75604 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
KDM4E B2RXH2 10/20 0.34
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL425201 0.85
Ethylene SCHEMBL27465900 0.81 CHRM2 (0.38) CA12CA1CA2CA9CHRM2
SCHEMBL827285 0.80 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL813378 0.80 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL126792 0.80 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3973874 0.80 CA12 (0.56) CA12CA1CA2CA9USP2
SCHEMBL12918862 0.80 CA12 (0.56) CA12CA1CA2CA9USP2
Benzene SCHEMBL28127380 0.79 LMNA (0.39) USP2CHRM2CHRM4CHRM5CHRM1
SCHEMBL28949920 0.79 CA12 (0.44) CA12CA1CA2CA9USP2
SCHEMBL8359067 0.78 MEN1 (0.48) CHRM2CHRM1KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100231670-A1 SET FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
US-20100080908-A1 INK SET AND METHOD FOR FORMING IMAGE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2169017-A1 Ink set and method for forming image Fujifilm Corporation (JP) 2010-03-31 EP disclosed
US-20090246422-A1 INKJET RECORDING MEDIUM AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090214805-A1 INKJET RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed
US-20090043081-A1 INK JET RECORDING SET AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
EP-2004412-A1 INK JET RECORDING SET AND INK JET RECORDING METHOD FUJIFILM Corporation (JP) 2008-12-24 EP disclosed
EP-1979173-A1 SET FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM Corporation (JP) 2008-10-15 EP disclosed
WO-2007088794-A1 INK JET RECORDING SET AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088724-A1 SET FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007037134-A9 INKJET RECORDING MEDIUM AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORP (JP) 2007-05-24 WO disclosed