SCHEMBL5165702

SCHEMBL5165702

C#CC(CCCC)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA1 P00915 3/20 0.42
FDPS P14324 1/20 0.36
MAPK1 P28482 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TSHR P16473 2/20 0.33
LAP3 P28838 2/20 0.33
LMNA P02545 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC15A1 P46059 1/20 0.33
CYP2C9 P11712 1/20 0.33
CTSK P43235 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL27780428 0.82 CA2 (0.41) CA2CA1FDPSMAPK1SLC1A3
SCHEMBL28380455 0.79
SCHEMBL23629921 0.78 LMNA (0.32) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL11512142 0.77 FAAH (0.40) CA2CA1LMNA
SCHEMBL11512138 0.77 FAAH (0.40) CA2CA1LMNA
SCHEMBL11606407 0.77 FAAH (0.40) CA2CA1LMNA
SCHEMBL10476527 0.75 LMNA (0.40) TSHRLMNATDP1
SCHEMBL8839863 0.74 LMNA (0.46) MAPK1LMNA
SCHEMBL8839869 0.74 LMNA (0.46) MAPK1LMNA
SCHEMBL4301873 0.74 CHRM1 (0.34) TSHRCHRM1CHRM3CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651593-A4 PROCESS FOR THE SYNTHESIS OF IODOPROPYNYL BUTYLCARBAMATE IN AN AQUEOUS SOLUTION OF A SUITABLE SURFACTANT H & S CHEMICAL COMPANY INC (US) 2007-06-13 EP disclosed
EP-1651593-A1 PROCESS FOR THE SYNTHESIS OF IODOPROPYNYL BUTYLCARBAMATE IN AN AQUEOUS SOLUTION OF A SUITABLE SURFACTANT H & S Chemical Company, Inc. (US) 2006-05-03 EP disclosed
US-6992208-B2 Process for the synthesis of iodopropynyl butylcarbamate in an aqueous solution of a suitable surfactant H&S CHEMICAL COMPANY, INC. (US) 2006-01-31 US disclosed
WO-2005016871-A1 PROCESS FOR THE SYNTHESIS OF IODOPROPYNYL BUTYLCARBAMATE IN AN AQUEOUS SOLUTION OF A SUITABLE SURFACTANT H & S CHEMICAL COMPANY, INC. (US) 2005-02-24 WO disclosed
US-20050033083-A1 Process for the synthesis of iodopropynyl butylcarbamate in an aqueous solution of a suitable surfactant FIRST FINANCIAL BANK 2005-02-10 US disclosed