SCHEMBL4599442

SCHEMBL4599442

O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.49
GSK3B P49841 3/20 0.47
HAO1 Q9UJM8 1/20 0.46
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
OGG1 O15527 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1999729 0.91 PLOD2 (0.56) PLOD2GSK3BHAO1HDAC1HDAC8
SCHEMBL8912818 0.83 PLOD2 (0.38) PLOD2HDAC1HDAC8HDAC3HDAC4
SCHEMBL6344726 0.83 ERCC5 (0.50) PLOD2GSK3BHDAC1HDAC8HDAC7
SCHEMBL10875483 0.83 PTPN1 (0.58) PLOD2GSK3BHDAC1HDAC8PLOD3
SCHEMBL2262230 0.83 MEN1 (0.55) PLOD2GSK3BHAO1PLOD3PLOD1
SCHEMBL583455 0.82 PLOD2 (0.70) PLOD2GSK3BHAO1HDAC1HDAC8
SCHEMBL4600257 0.81 ERCC5 (0.54) PLOD2GSK3BHAO1HDAC1HDAC8
SCHEMBL11946962 0.80 PLOD2 (0.45) PLOD2GSK3BHAO1HDAC1HDAC8
SCHEMBL29596316 0.80 PLOD2 (0.45) PLOD2GSK3BHAO1HDAC1HDAC8
SCHEMBL8911810 0.79 PLOD2 (0.37) PLOD2HDAC1HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381567-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2008-06-03 US disclosed
EP-1483582-B1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2008-04-16 EP disclosed
US-7211440-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2007-05-01 US disclosed
US-20070015284-A1 Dissociative fluorescence enhancement assay HEMMILA ILKKA 2007-01-18 US disclosed
EP-1483582-A1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2004-12-08 EP disclosed
WO-2003076939-A1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2003-09-18 WO disclosed
US-20030170907-A1 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2003-09-11 US disclosed