SCHEMBL2228560

SCHEMBL2228560

CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.CCCn1cc[n+](C)c1C.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
FDPS P14324 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EEF2K O00418 2/20 0.32
EEF2 P13639 2/20 0.32
MEN1 O00255 1/20 0.32
PLK4 O00444 1/20 0.32
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
TYK2 P29597 1/20 0.32
FLT3 P36888 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
ITK Q08881 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL15348252 1.00 ACHE (0.37) ACHEFDPSCA1CA2LMNA
SCHEMBL2230997 0.91 EEF2K (0.39) ACHEFDPSCA1CA2EEF2K
SCHEMBL2228877 0.89 EEF2K (0.44) FDPSCA1CA2HTTSMN1; SMN2
SCHEMBL2230206 0.88 EEF2K (0.46) FDPSCA1CA2HTTSMN1; SMN2
SCHEMBL2227547 0.88 EEF2K (0.46) FDPSCA1CA2HTTSMN1; SMN2
SCHEMBL2229148 0.88 EEF2K (0.46) FDPSCA1CA2HTTSMN1; SMN2
SCHEMBL2230166 0.88 EEF2K (0.46) FDPSCA1CA2HTTSMN1; SMN2
SCHEMBL2228634 0.88 EEF2K (0.46) FDPSCA1CA2HTTSMN1; SMN2
SCHEMBL2228836 0.87 LMNA (0.40) ACHEFDPSLMNAHPGDHTT
SCHEMBL15348295 0.87 LMNA (0.40) ACHEFDPSLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730157-B1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed