SCHEMBL3161237

SCHEMBL3161237

COC(=O)CCCCCCCCCCOc1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.50
HDAC8 Q9BY41 7/20 0.50
HDAC6 Q9UBN7 7/20 0.50
HDAC2 Q92769 7/20 0.50
HDAC3 O15379 6/20 0.50
HDAC4 P56524 6/20 0.50
HDAC7 Q8WUI4 6/20 0.50
HDAC10 Q969S8 6/20 0.50
HDAC11 Q96DB2 6/20 0.50
HDAC9 Q9UKV0 6/20 0.50
HDAC5 Q9UQL6 6/20 0.50
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
P2RY12 Q9H244 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 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
SCHEMBL4275826 0.92 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL14566050 0.87 MAPT (0.56) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL13612294 0.85 L3MBTL1 (0.57) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL809948 0.85 NR5A1 (0.59) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL14163893 0.85 L3MBTL1 (0.57) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL810018 0.85 PPARD (0.53) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL21260769 0.85 L3MBTL1 (0.57) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL3170654 0.84 LTA4H (0.52) GAAMAPTHTTLTA4H
SCHEMBL14883463 0.84 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL13933074 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC2HDAC3

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