SCHEMBL3309253

SCHEMBL3309253

CCCCCCCCCCCCC(C)OOS(=O)(=O)O.CCCCCCCCCCCC[N+](C)(C)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.47
TP53 P04637 3/20 0.38
FAAH O00519 5/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RAD52 P43351 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CA1 P00915 1/20 0.33
DNM1 Q05193 1/20 0.33
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
SLC25A20 O43772 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL29394079 0.87 TP53 (0.48) TP53FAAHCNR1CNR2ACE2
SCHEMBL28482170 0.87 TP53 (0.48) TP53FAAHCNR1CNR2ACE2
SCHEMBL360909 0.87 TP53 (0.48) TP53FAAHCNR1CNR2ACE2
SCHEMBL5962931 0.85 TP53 (0.47) TP53FAAHCNR1CNR2ACE2
Ammonia Solution, Strong SCHEMBL9795796 0.85 TP53 (0.47) TP53FAAHCNR1CNR2ACE2
SCHEMBL2981010 0.78 RECQL (0.35) LSSTP53FAAHCNR1CNR2
SCHEMBL5605776 0.73 TP53 (0.42) TP53FAAHCNR1CNR2ACE2
SCHEMBL9446374 0.73 LSS (0.57) LSSRAD52CA1DNM1TSHR
SCHEMBL29280187 0.72 RECQL (0.47) TP53FAAHCNR1CNR2CA1
SCHEMBL3307830 0.72 RECQL (0.47) TP53FAAHCNR1CNR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099314-A1 IONIC LIQUIDS DERIVED FROM SURFACTANTS HECHT STACIE ELLEN 2010-04-22 US disclosed
EP-1809728-A1 IONIC LIQUIDS DERIVED FROM SURFACTANTS The Procter and Gamble Company (US) 2007-07-25 EP disclosed
WO-2006050306-A1 IONIC LIQUIDS DERIVED FROM SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2006-05-11 WO disclosed
US-20060094616-A1 Ionic liquids derived from surfactants PROCTER & GAMBLE COMPANY, THE 2006-05-04 US disclosed