SCHEMBL4532068

SCHEMBL4532068

C=CCOCCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL1172895 0.94 APP (0.43) APPMEN1POLBKMT2ACA1
SCHEMBL29153462 0.92 APP (0.41) APPMEN1POLBKMT2ACA1
SCHEMBL28585348 0.92 APP (0.41) APPMEN1POLBKMT2ACA1
SCHEMBL2724427 0.85 PTGS1 (0.39) APPMEN1POLBKMT2ACA1
SCHEMBL28225264 0.83 PTGS1 (0.37) APPMEN1POLBKMT2ACA1
Hydrogen Peroxide SCHEMBL28224599 0.82 PTGS1 (0.36) APPMEN1POLBKMT2ACA1
Sulfuric Acid SCHEMBL5189069 0.81 POLB (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL37545 0.80 APP (0.48) APPMEN1POLBKMT2ACA1
SCHEMBL28143939 0.80 APP (0.37) APPCA1CA2CA7PTGS1
Sulfuric Acid SCHEMBL366479 0.78 TSHR (0.44) MEN1POLBKMT2ACA1CA2

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
US-7566751-B2 Sulfonate functional polyvinyl acetals KURARAY EUROPE GMBH (DE) 2009-07-28 US disclosed
US-20080076871-A1 Sulfonate Functional Polyvinyl Acetals WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1763543-B1 SULFONATE FUNCTIONAL POLYVINYL ACETALS WACKER POLYMER SYSTEMS GMBH (DE) 2007-10-31 EP disclosed
EP-1763543-A1 SULFONATE FUNCTIONAL POLYVINYL ACETALS Wacker Polymer Systems GmbH & Co. KG (DE) 2007-03-21 EP disclosed
WO-2006002832-A1 SULFONATE FUNCTIONAL POLYVINYL ACETALS WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2006-01-12 WO disclosed