SCHEMBL4599519

SCHEMBL4599519

CCCCC(CC)COCc1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
CA2 P00918 2/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MAOA P21397 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL80432 0.77 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL288653 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
Magnesium SCHEMBL10786879 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL8281040 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
Barium SCHEMBL10790747 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL23087841 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL18835723 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
Potassium SCHEMBL18260591 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
Calcium SCHEMBL10786160 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL1230777 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1MMP9MMP8

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
EP-1470097-B1 PENTABROMOBENZYL ALKYL ETHERS AND THEIR USE AS FIRE RETARDANTS BROMINE COMPOUNDS LTD (IL) 2008-04-16 EP disclosed
CN-1319923-C Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD (IL) 2007-06-06 CN disclosed
US-7091270-B2 Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD. (IL) 2006-08-15 US disclosed
US-20050124746-A1 Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD. (IL) 2005-06-09 US disclosed
CN-1625540-A Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD (IL) 2005-06-08 CN disclosed
EP-1470097-A1 PENTABROMOBENZYL ALKYL ETHERS AND THEIR USE AS FIRE RETARDANTS Bromine Compounds Ltd. (IL) 2004-10-27 EP disclosed
WO-2003064361-A1 PENTABROMOBENZYL ALKYL ETHERS AND THEIR USE AS FIRE RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2003-08-07 WO disclosed