SCHEMBL2227773

SCHEMBL2227773

CC(N)(CN)CCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SLC6A6 P31641 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
APP P05067 1/20 0.41
S1PR1 P21453 1/20 0.39
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1326231 0.82 S1PR1 (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL22627225 0.79 LMNA (0.46) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL27783817 0.78 LMNA (0.43) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL162508 0.78 LMNA (0.43) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL6776433 0.76 LMNA (0.42) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL6776790 0.74 PTGS1 (0.40) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL16669746 0.73 LMNA (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL14741924 0.73 LMNA (0.44) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL27971734 0.72 LMNA (0.48) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL2601699 0.72 PTGS1 (0.41) LMNASLC6A6CYP2C19BLMAPP

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-3368003-A1 COSMETIC COMPOSITION COMPRISING POLYURETHANE Covestro Deutschland AG (DE) 2018-09-05 EP disclosed
WO-2017070919-A1 COSMETIC COMPOSITION COMPRISING POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2017-05-04 WO disclosed
EP-2118161-B1 POLYURETHANE DISPERSIONS BASED ON 2,2'-MDI BAYER MATERIALSCIENCE AG (DE) 2012-10-24 EP disclosed
WO-2011144530-A1 PROCESS FOR JOINING TOGETHER COMPONENTS, IN PARTICULAR IN THE PRODUCTION OF SHOES BAYER MATERIALSCIENCE AG (DE) 2011-11-24 WO disclosed
WO-2011089154-A2 A PROCESS FOR THE PRODUCTION OF WATER-EMULSIFIABLE POLYURETHANE-POLYACRYLATE HYBRID SYSTEMS BAYER MATERIALSCIENCE AG (DE) 2011-07-28 WO disclosed