SCHEMBL28757972

SCHEMBL28757972

O=C(c1cc(Br)c(Br)c(Br)c1Br)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL9740694 0.85 LMNA (0.52) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL972915 0.79 LMNA (0.57) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28331328 0.78 CES2 (0.52) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28831101 0.75 LMNA (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28271166 0.74 CES2 (0.47) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28137733 0.72 CES2 (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL27428737 0.72 CES2 (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL30783688 0.72 LMNA (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28868999 0.72 CES2 (0.50) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL17956155 0.72 LMNA (0.45) LMNACES2CES1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187758-A A kind of synthetic method of the different monooctyl ester of tetrabromobenzoic acid 潍坊玉成化工有限公司 2016-12-07 CN disclosed
CN-106187758-A A kind of synthetic method of the different monooctyl ester of tetrabromobenzoic acid 潍坊玉成化工有限公司 2016-12-07 CN disclosed
CN-1819988-B Method for producing tetrabromobenzoate ester GREAT LAKES CHEMICAL CORP 2010-12-08 CN disclosed
CN-101805262-A Produce the method for tetrabromo benzoate GREAT LAKES CHEMICAL CORP 2010-08-18 CN disclosed
CN-1819988-A Method for producing tetrabromobenzoate ester GREAT LAKES CHEMICAL CORP (US) 2006-08-16 CN disclosed