SCHEMBL10138705

SCHEMBL10138705

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.56
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC22A2 O15244 1/20 0.52
DNM1 Q05193 4/20 0.50
EPHX2 P34913 1/20 0.49
FAAH O00519 2/20 0.46

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
SCHEMBL29506651 1.00 SLC22A1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL27789106 1.00 SLC22A1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11006731 0.96 SLC22A1 (0.52) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL27604612 0.96 SLC22A1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrabuthylammonium SCHEMBL27850437 0.96 SLC22A1 (0.52) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL12109955 0.96 SLC22A1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL28558958 0.96 SLC22A1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL35194 0.96 SLC22A1 (0.52) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11880850 0.94 DNM1 (0.56) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrabuthylammonium SCHEMBL28459202 0.93 SLC22A1 (0.55) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119822-B2 Ionic liquids in the preparation of POMs BASF SE (DE) 2012-02-21 US disclosed
US-8053046-B2 Ink for inkjet printing, ink set for inkjet printing, inkjet recording material and producing method for inkjet recording material, and inkjet recording method FUJIFILM CORPORATION (JP) 2011-11-08 US disclosed
US-20100247816-A1 INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247771-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20090275724-A1 IONIC LIQUIDS IN THE PREPARATION OF POMS BASF SE PATENTS ,TRADEMARKS AND LICENSES (DE) 2009-11-05 US disclosed
US-20070052783-A1 Ink for inkjet printing ink set for inkjet printing inkjet recording material and producing method for inkjet recording material and inkjet recording method FUJIFILM CORPORATION (JP) 2007-03-08 US disclosed