SCHEMBL798530

SCHEMBL798530

CN(C)CC[CH]CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
EPHX2 P34913 1/20 0.33
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
SCHEMBL10596261 0.82 APP (0.50) APPPTGS1PDE4AEPHX2LMNA
SCHEMBL128907 0.78 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL16446001 0.77 EPHX2 (0.42) APPPTGS1PDE4AEPHX2LMNA
Hydrochloric Acid SCHEMBL3148714 0.76 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
Water SCHEMBL21226523 0.76 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL5017073 0.76 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL353885 0.76 ALDH1A1 (0.48) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL11061814 0.75 EPHX2 (0.53) APPEPHX2
SCHEMBL17655619 0.74 ALDH1A1 (0.52) APPPTGS1PDE4A
Water SCHEMBL30397698 0.74 APP (0.42) APPPTGS1PDE4ALMNASLC6A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299458-B1 AQUEOUS DISPERSION COMPRISING VISCOUS SILICONE OILS CROSSLINKABLE BY CONDENSATION INTO AN ADHERING ELASTOMER FOR USE AS SEALANTS OR PAINTS AND PREPARATION METHOD HENKEL AG & CO KGAA (DE) 2011-11-30 EP disclosed
EP-1765728-B1 HIGH FORM FACTOR CRYSTALLIZED ZIRCONIUM PHOSPHATE, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF IN A MACROMOLECULAR MATERIAL RHODIA CHIMIE SA (FR) 2010-07-28 EP disclosed
WO-2008015072-A1 CRYSTALLINE ZIRCONIUM AND/OR TITANIUM PHOSPHATE, HAVING A LAMELLAR STRUCTURE AND INCLUDING A DIAMINE AS INTERCALATION AGENT, METHOD OF PREPARATION AND USE IN A MACROMOLECULAR MATERIAL RHODIA OPERATIONS (FR) 2008-02-07 WO disclosed
EP-1765728-A1 HIGH FORM FACTOR CRYSTALLIZED ZIRCONIUM PHOSPHATE, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF IN A MACROMOLECULAR MATERIAL Rhodia Chimie SA (FR) 2007-03-28 EP disclosed
WO-2006008388-A1 HIGH FORM FACTOR CRYSTALLIZED ZIRCONIUM PHOSPHATE, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF IN A MACROMOLECULAR MATERIAL RHODIA CHIMIE (FR) 2006-01-26 WO disclosed
EP-1587754-A1 EXFOLIATE STRUCTURED ZIRCONIUM PHOSPHATE, PRECURSORS OF SAID PHOSPHATE, METHOD FOR THE PRODUCTION AND USE THEREOF IN MACROMOLECULAR-MATERIAL-BASED COMPOSITIONS Rhodia Electronics and Catalysis (FR) 2005-10-26 EP disclosed
WO-2004065297-A1 EXFOLIATE STRUCTURED ZIRCONIUM PHOSPHATE, PRECURSORS OF SAID PHOSPHATE, METHOD FOR THE PRODUCTION AND USE THEREOF IN MACROMOLECULAR-MATERIAL-BASED COMPOSITIONS RHODIA ELECTRONICS AND CATALYSIS (FR) 2004-08-05 WO disclosed