SCHEMBL3170654

SCHEMBL3170654

CCOC(=O)CCCCCOc1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
MAPT P10636 1/20 0.49
BRD4 O60885 1/20 0.49
HTT P42858 1/20 0.49
FFAR1 O14842 1/20 0.48
PDK2 Q15119 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH2 P05091 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL8326306 0.98 LTA4H (0.53) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL7045164 0.94 BRD4 (0.54) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL14570538 0.88 MEN1 (0.59) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL17266636 0.87 MAPT (0.52) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL19474670 0.86 LTA4H (0.53) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL7747836 0.86 NR5A1 (0.60) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL15104736 0.86 NR5A1 (0.60) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL16264850 0.86 MEN1 (0.60) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL765455 0.85 LTA4H (0.58) LTA4HCYSLTR2CYSLTR1MAPTBRD4
SCHEMBL17265678 0.85 LTA4H (0.52) LTA4HCYSLTR2CYSLTR1MAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642373-B2 Forming for example [18F]-dopamine or [18F]-uracil via reaction of iodonium salt precursor, where use of free radical scavenger improves yield of aryl fluoride GE HEALTHCARE LIMITED (GB) 2010-01-05 US disclosed
US-7642373-B2 Forming for example [18F]-dopamine or [18F]-uracil via reaction of iodonium salt precursor, where use of free radical scavenger improves yield of aryl fluoride GE HEALTHCARE LIMITED (GB) 2010-01-05 US disclosed
EP-1697279-B1 RADICAL TRAP IN FLUORIDATION OF IODINIUM SALT GE HEALTHCARE LTD (GB) 2008-09-24 EP disclosed
US-20060292060-A1 Forming for example [18F]-dopamine or [18F]-uracil via reaction of iodonium salt precursor, where use of free radical scavenger improves yield of aryl fluoride GE HEALTHCARE LIMITED (GB) 2006-12-28 US disclosed
EP-1697279-A1 RADICAL TRAP IN FLUORIDATION OF IODINIUM SALT GE Healthcare Limited (GB) 2006-09-06 EP disclosed
WO-2005061415-A1 RADICAL TRAP IN FLUORIDATION OF IODONIUM SALT GE HEALTHCARE LIMITED (GB) 2005-07-07 WO disclosed