SCHEMBL2228394

SCHEMBL2228394

CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.CCCCCC[N+]1(CCCCCC)CCCC1.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 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.37
FAAH O00519 1/20 0.36
AKT1 P31749 2/20 0.35
TERT O14746 1/20 0.35
UCHL3 P15374 1/20 0.35
MAPK14 Q16539 1/20 0.35
LPAR3 Q9UBY5 4/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR1 Q92633 1/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AGTR1 P30556 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPM8 Q7Z2W7 4/20 0.31
CES2 O00748 3/20 0.30
CES1 P23141 3/20 0.30

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
SCHEMBL2230769 0.98 CDC25A (0.35) CDC25AFAAHAKT1TERTUCHL3
SCHEMBL2228658 0.92 CDC25A (0.33) CDC25AFAAHAKT1TERTUCHL3
SCHEMBL2228219 0.84 NPC1 (0.31)
SCHEMBL5299076 0.84 TSHR (0.42) LMNA
SCHEMBL899276 0.84 TSHR (0.42) LMNA
SCHEMBL899023 0.84 TSHR (0.42) LMNA
SCHEMBL5289929 0.84 TSHR (0.42) LMNA
SCHEMBL5300886 0.84 TSHR (0.42) LMNA
SCHEMBL5296653 0.84 TSHR (0.42) LMNA
SCHEMBL5294672 0.84 TSHR (0.42) LMNA

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