SCHEMBL3170883

SCHEMBL3170883

O=C(O)CCCCCOc1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.61
ALB P02768 1/20 0.57
PLA2G4B P0C869 4/20 0.55
SERPINE1 P05121 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
FFAR1 O14842 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CYP4F2 P78329 4/20 0.49
CYP4A11 Q02928 4/20 0.49

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
SCHEMBL3160657 1.00 PPARA (0.61) PPARAALBPLA2G4BSERPINE1L3MBTL1
SCHEMBL7045198 0.98 PPARA (0.63) PPARAALBPLA2G4BSERPINE1L3MBTL1
SCHEMBL3809894 0.93 PPARA (0.56) PPARAALBPLA2G4BSERPINE1L3MBTL1
SCHEMBL21073528 0.91 PPARA (0.71) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL29141429 0.91 PPARA (0.71) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL31448424 0.91 PPARA (0.71) PPARAALBPLA2G4BL3MBTL1HDAC1
SCHEMBL31448470 0.89 PPARA (0.73) PPARAALBPLA2G4BSERPINE1L3MBTL1
SCHEMBL7046292 0.87 L3MBTL1 (0.67) PPARAPLA2G4BL3MBTL1FFAR1
SCHEMBL2158826 0.84 ALB (0.68) PPARAALBPLA2G4B
SCHEMBL12534514 0.84 ALB (0.68) PPARAALBPLA2G4B

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 8 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
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
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