SCHEMBL4599522

SCHEMBL4599522

CCCCC(CC)COC(Br)c1cc(Br)c(Br)c(Br)c1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 9/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 4/20 0.36
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 3/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL6360932 0.73 CA2 (0.44) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL2728830 0.71 ALDH1A1 (0.63) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL2053675 0.69 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL28083440 0.69 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL11663568 0.67 TDP1 (0.32) TDP1
SCHEMBL12242147 0.67 CYP3A4 (0.52) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL15786418 0.67 CYP3A4 (0.52) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL8217857 0.66 CYP3A4 (0.55) CYP3A4L3MBTL1ALDH1A1CA2TSHR
SCHEMBL4599386 0.66 TDP1 (0.41) TDP1
SCHEMBL4599519 0.66 CYP3A4 (0.49) CYP3A4L3MBTL1ALDH1A1CA2TSHR

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