SCHEMBL2761345

SCHEMBL2761345

CCCCCCCCOS(=O)(=O)[O-].CCCCOC(=O)c1ccc[n+](C)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 2/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10257278 0.89 LMNA (0.57) STSLMNATSHRMAPK1ALDH1A1
SCHEMBL2761500 0.87 LMNA (0.48) STSLMNARECQLTSHRGLA
SCHEMBL10256807 0.87 L3MBTL1 (0.55) STSLMNATSHRMAPK1
Iodide SCHEMBL2761176 0.85 L3MBTL1 (0.54) STSLMNATSHRMAPK1
Iodide SCHEMBL5986679 0.81 LMNA (0.49) STSLMNATSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5987743 0.81 LMNA (0.52) STSLMNATSHRHPGDMAPK1
SCHEMBL5987270 0.79 LMNA (0.41) STSLMNATSHRMAPK1ALDH1A1
Dibutyl Phthalate SCHEMBL28221240 0.78 ALDH1A1 (0.71) STSLMNARECQLTSHRGLA
SCHEMBL9321388 0.78 LMNA (0.56) STSLMNATSHRHPGDMAPK1
SCHEMBL8778093 0.78 LMNA (0.56) STSLMNATSHRHPGDMAPK1

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
US-9555394-B2 Method of making ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
US-20140057048-A1 METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-27 US disclosed
US-8623279-B2 Ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2014-01-07 US disclosed
US-20120128551-A1 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2012-05-24 US disclosed
WO-2010135660-A2 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-11-25 WO disclosed