SCHEMBL2227740

SCHEMBL2227740

CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.CCC[n+]1cccc(C)c1.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 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.51
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HSP90AA1 P07900 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAD52 P43351 1/20 0.39
APAF1 O14727 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2229934 0.91 LMNA (0.49) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2228193 0.91 GGPS1 (0.49) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2228321 0.89 HTT (0.51) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2229364 0.89 HTT (0.51) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2228630 0.89 HTT (0.51) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2230391 0.89 HTT (0.51) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2227904 0.89 HTT (0.51) GGPS1LMNAHSP90AA1SMN1; SMN2RAD52
SCHEMBL2228035 0.87 GGPS1 (0.54) GGPS1LMNAL3MBTL1PABPC1KMT2A
SCHEMBL29453936 0.86 PABPC1 (0.46) GGPS1LMNAL3MBTL1PABPC1KMT2A
SCHEMBL1238157 0.86 PABPC1 (0.46) GGPS1LMNAL3MBTL1PABPC1KMT2A

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 3 patents. 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
EP-1730157-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
WO-2005105815-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2005-11-10 WO disclosed