SCHEMBL48443

SCHEMBL48443

CN(C)CCCCCOC(=O)OCCCCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRM3 P20309 1/20 0.45
CHRNA4 P43681 1/20 0.45
DNM1 Q05193 4/20 0.44
NAAA Q02083 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4A O75164 6/20 0.40
KDM4C Q9H3R0 6/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7061351 0.91 GAA (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL16154786 0.90 ALDH1A1 (0.52) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL15689451 0.90 ALDH1A1 (0.44) ALDH1A1TSHRCHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL26967842 0.88 TSHR (0.49) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL21574947 0.88 NAAA (0.57) ALDH1A1TSHRDNM1NAAA
SCHEMBL15689450 0.88 ALDH1A1 (0.42) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL16844976 0.87 CHRM2 (0.42) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL31440349 0.84 ALDH1A1 (0.52) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL7062181 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL31297301 0.84 ALDH1A1 (0.52) ALDH1A1TSHRCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed
EP-0830336-B1 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS CROMPTON CORP (US) 2003-05-21 EP disclosed
EP-0830336-A4 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS OSI SPECIALTIES INC (US) 2000-04-05 EP disclosed
EP-0830336-A1 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS OSi Specialties, Inc. (US) 1998-03-25 EP disclosed
WO-1996040613-A1 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS OSI SPECIALTIES, INC. (US) 1996-12-19 WO disclosed
US-5563288-A REACTING DIMETHYL CARBONATE WITH ALCOHOL TO FORM METHYL ALKYL CARBONATE, REACTING CARBONATE WITH TERTIARY ALKANOLAMINE OSI SPECIALTIES, INC. (US) 1996-10-08 US disclosed