SCHEMBL2981010

SCHEMBL2981010

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
TP53 P04637 1/20 0.35
BLM P54132 1/20 0.35
FAAH O00519 5/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NAAA Q02083 1/20 0.34
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
CA1 P00915 2/20 0.33
LSS P48449 1/20 0.33

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
SCHEMBL3307830 0.85 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL29280187 0.85 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28042869 0.85 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3309253 0.78 LSS (0.47) TSHRTP53FAAHCNR1CNR2
Dodecylamine SCHEMBL3341312 0.77 GNAI3 (0.33) TP53FAAHCNR1CNR2NAAA
SCHEMBL360909 0.74 TP53 (0.48) TP53FAAHCNR1CNR2GPR84
SCHEMBL29394079 0.74 TP53 (0.48) TP53FAAHCNR1CNR2GPR84
SCHEMBL28482170 0.74 TP53 (0.48) TP53FAAHCNR1CNR2GPR84
SCHEMBL5605776 0.73 TP53 (0.42) TP53FAAHCNR1CNR2CA1
SCHEMBL5962931 0.72 TP53 (0.47) TP53FAAHCNR1CNR2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776810-B2 ionic liquid active composed of an ion active bis/fatty ester ethyl-(dimethylammonium)cation and an ionic liquid-forming counter ion containing 1,1,1-trifluoro-N-[(trifluoromethyl) sulfonyl] methanesulfonamidinate; capable of deivering surface treatment, air treatment and fabric treatment benifits THE PROCTER & GAMBLE COMPANY (US) 2010-08-17 US disclosed
US-20060094620-A1 Compositions containing ionic liquid actives PROCTER & GAMBLE COMPANY, THE 2006-05-04 US disclosed