SCHEMBL612658

SCHEMBL612658

CCC(N)=C(N(CC)CC)N(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.33
EHMT1 Q9H9B1 3/20 0.33
ABCB11 O95342 2/20 0.33
HTT P42858 2/20 0.33
GSDMD P57764 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2E1 P05181 1/20 0.33
PTGS1 P23219 1/20 0.33
LMNA P02545 2/20 0.32
PHGDH O43175 1/20 0.32
PLIN1 O60240 1/20 0.32
GMNN O75496 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
ALDH2 P05091 1/20 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
SCHEMBL1537877 0.69
SCHEMBL1537878 0.69
SCHEMBL28854235 0.69
SCHEMBL2202365 0.69
SCHEMBL9453859 0.65
SCHEMBL10660269 0.65 EHMT2 (0.38) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL2376776 0.65
SCHEMBL28382859 0.65 EHMT2 (0.33) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL2102696 0.65 EHMT2 (0.33) EHMT2EHMT1ABCB11HTTGSDMD
SCHEMBL4625514 0.63

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
US-8728225-B2 Composition containing quaternary amino-functional organosilicon compounds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2014-05-20 US claimed
EP-2421874-B1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2015-09-30 EP disclosed
US-8979996-B2 Composition containing quaternary amino-functional organosilicon compunds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2015-03-17 US disclosed
US-20140208981-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2014-07-31 US disclosed
US-8728225-B2 Composition containing quaternary amino-functional organosilicon compounds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2014-05-20 US disclosed
EP-2421874-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF Evonik Degussa GmbH (DE) 2012-02-29 EP disclosed
US-20120037040-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2012-02-16 US disclosed
WO-2010121873-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2010-10-28 WO disclosed