SCHEMBL2229934

SCHEMBL2229934

CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[n+]1cccc(C)c1.CCCCC[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 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
HSP90AA1 P07900 2/20 0.49
RAD52 P43351 2/20 0.49
APAF1 O14727 2/20 0.49
ALDH1A1 P00352 2/20 0.49
BLM P54132 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GGPS1 O95749 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2229364 0.98 HTT (0.51) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2228321 0.98 HTT (0.51) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2227904 0.98 HTT (0.51) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2230391 0.98 HTT (0.51) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2228630 0.98 HTT (0.51) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2228193 0.97 GGPS1 (0.49) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2227740 0.91 GGPS1 (0.51) LMNAHTTHSP90AA1RAD52APAF1
SCHEMBL2870315 0.87 HTT (0.62) LMNAHTTRAD52APAF1ALDH1A1
SCHEMBL5286313 0.85 HTT (0.66) LMNAHTTHSP90AA1RAD52SMN1; SMN2
SCHEMBL5293081 0.85 HTT (0.66) LMNAHTTHSP90AA1RAD52SMN1; SMN2

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