SCHEMBL187149

SCHEMBL187149

CCCCCCCCOS(=O)(=O)[O-].CCCCCOC(=O)Cc1[nH]cc[n+]1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46
NAAA Q02083 3/20 0.38
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
STS P08842 3/20 0.33
PPARG P37231 3/20 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
SCHEMBL3643738 0.99 RECQL (0.45) RECQLTSHRGLAHPGDMAPK1
SCHEMBL186616 0.94 RECQL (0.45) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3642021 0.94 RECQL (0.42) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3646368 0.93 RECQL (0.41) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3647313 0.93 RECQL (0.41) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3642634 0.93 RECQL (0.41) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3649708 0.93 RECQL (0.41) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3650744 0.93 RECQL (0.41) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3650294 0.92 RECQL (0.40) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3649403 0.91 RECQL (0.40) RECQLTSHRGLAHPGDMAPK1

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-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO disclosed
EP-2183220-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY Dublin City University (IE) 2010-05-12 EP disclosed
WO-2009024607-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2009-02-26 WO disclosed