SCHEMBL4083436

SCHEMBL4083436

Brc1ccc([C](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
CYP2A6 P11509 1/20 0.57
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ALOX15 P16050 2/20 0.50
GSK3B P49841 2/20 0.48
OGG1 O15527 1/20 0.46
LMNA P02545 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 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
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL9669685 0.88 ALDH1A1 (0.53) CES2CES1CYP2A6CA1CA2
SCHEMBL8470601 0.86 ALDH1A1 (0.68) CES2CES1CYP2A6CA1CA2
SCHEMBL17202274 0.79 CES2 (0.58) CES2CES1CYP2A6CA1CA2
SCHEMBL9573132 0.76 SRD5A2 (0.49) LMNATSHRMAPK1HPGDMEN1
SCHEMBL3279330 0.76 CES2 (0.62) CES2CES1CYP2A6CA1CA2
SCHEMBL18508 0.76
SCHEMBL3842531 0.73 LMNA (0.73) CES2CES1CYP2A6CA1CA2
SCHEMBL6343638 0.73 MAPT (0.55) CES2CES1CYP2A6CA1CA2
SCHEMBL2540825 0.73 CES2 (0.52) CES2CES1CYP2A6CA1CA2
SCHEMBL21679933 0.73 CES2 (0.52) CES2CES1CYP2A6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed