SCHEMBL692160

SCHEMBL692160

C=CCOCC(O)CNC(C)C=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CYP2D6 P10635 3/20 0.47
ADRB2 P07550 6/20 0.44
ADRB1 P08588 6/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
HTR1A P08908 2/20 0.44
SLC6A4 P31645 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC22A1 O15245 1/20 0.44
HTR2A P28223 1/20 0.44
ADRB3 P13945 3/20 0.38
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.37

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
Urea SCHEMBL6903927 0.92 CA1 (0.44) CA1CA2CA7CYP2D6ADRB2
SCHEMBL8979435 0.79 CA1 (0.46) CA1CA2CA7CYP2D6ADRB2
SCHEMBL8979432 0.79 CA1 (0.46) CA1CA2CA7CYP2D6ADRB2
SCHEMBL15623789 0.78 CA1 (0.45) CA1CA2CA7CYP2D6ADRB2
SCHEMBL15602751 0.78 CA1 (0.45) CA1CA2CA7CYP2D6ADRB2
SCHEMBL2400387 0.77 CA1 (0.61) CA1CA2CA7CYP2D6ADRB2
SCHEMBL17055318 0.77 CA1 (0.52) CA1CA2CA7CYP2D6ADRB2
SCHEMBL21955669 0.77 CA1 (0.55) CA1CA2CA7CYP2D6ADRB2
SCHEMBL11031043 0.76 CYP2D6 (0.45) CA1CA2CA7CYP2D6ADRB2
SCHEMBL11031040 0.76 CYP2D6 (0.45) CA1CA2CA7CYP2D6ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222717-A1 POLYMER AQUEOUS DISPERSION WITH CORE/SKIN STRUCTURE, METHOD FOR MAKING SAME AND APPLICATION THEREOF IN COATINGS Cray Valley S.A. (FR) 2010-09-01 EP claimed
WO-2009095569-A1 POLYMER AQUEOUS DISPERSION WITH CORE/SKIN STRUCTURE, METHOD FOR MAKING SAME AND APPLICATION THEREOF IN COATINGS CRAY VALLEY SA (FR) 2009-08-06 WO claimed
EP-0710680-B1 Aqueous polymer dispersion BASF AG (DE) 2003-03-19 EP claimed
EP-2222717-B1 POLYMER AQUEOUS DISPERSION WITH CORE/SKIN STRUCTURE, METHOD FOR MAKING SAME AND APPLICATION THEREOF IN COATINGS ARKEMA FRANCE (FR) 2012-02-29 EP disclosed
EP-2222717-A1 POLYMER AQUEOUS DISPERSION WITH CORE/SKIN STRUCTURE, METHOD FOR MAKING SAME AND APPLICATION THEREOF IN COATINGS Cray Valley S.A. (FR) 2010-09-01 EP disclosed
WO-2009095569-A1 POLYMER AQUEOUS DISPERSION WITH CORE/SKIN STRUCTURE, METHOD FOR MAKING SAME AND APPLICATION THEREOF IN COATINGS CRAY VALLEY SA (FR) 2009-08-06 WO disclosed