SCHEMBL4654273

SCHEMBL4654273

CNC(CCS(=O)(=O)O)CS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
ENPEP Q07075 3/20 0.31
ANPEP P15144 1/20 0.31
APP P05067 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
SCHEMBL28373381 0.83 PTGS1 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9116980 0.77 SLC22A6 (0.39) SLC22A6LMNA
Dimethylamine SCHEMBL18008461 0.75 LMNA (0.36) SLC22A6PTGS1PDE4ALMNASLC6A6
SCHEMBL21518398 0.73 PTGS1 (0.35) SLC22A6PTGS1PDE4ALMNASLC6A6
SCHEMBL8213463 0.72 ALDH1A1 (0.36) SLC22A6ENPEPANPEP
SCHEMBL329794 0.71
SCHEMBL11341696 0.70 PTGS1 (0.36) SLC22A6PTGS1PDE4ALMNASLC6A6
SCHEMBL2752832 0.69 PTGS1 (0.39) SLC22A6PTGS1PDE4ALMNASLC6A6
SCHEMBL10073553 0.69 PTGS1 (0.39) SLC22A6PTGS1PDE4ALMNASLC6A6
Fluoride SCHEMBL14840306 0.69 PTGS1 (0.39) SLC22A6PTGS1PDE4ALMNASLC6A6

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-1830957-B1 EPOXIDATION PROCESS WHEREIN THE TITANIUM OR VANADIUM ZEOLITE CATALYST IS PRETEATED WITH AN AMINO POLYACID LYONDELL CHEMICAL TECH LP (US) 2008-11-12 EP disclosed
EP-1830957-A1 EPOXIDATION PROCESS WHEREIN THE TITANIUM OR VANADIUM ZEOLITE CATALYST IS PRETEATED WITH AN AMINO POLYACID Lyondell Chemical Technology, L.P. (US) 2007-09-12 EP disclosed
US-20060135795-A1 reacting olefin with hydrogen peroxide in presence of titanium or vanadium zeolite which is pretreated with ethylenediaminetetraacetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. 2006-06-22 US disclosed
WO-2006065311-A1 EPOXIDATION PROCESS WHEREIN THE TITANIIUM OR VANADIUM ZEOLITE CATALYST IS PRETREATED WITH AN AMINO POLYACID LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2006-06-22 WO disclosed
US-7057056-B1 Epoxidation catalyst LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2006-06-06 US disclosed