SCHEMBL4086841

SCHEMBL4086841

Brc1cccc(Br)c1C(c1c(Br)cccc1Br)c1c(Br)cccc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
AHR P35869 1/20 0.33
MAPK1 P28482 1/20 0.33
PDPK1 O15530 1/20 0.33
NOS1 P29475 2/20 0.31
BACE1 P56817 2/20 0.31
AXL P30530 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
PARP1 P09874 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11045185 0.81 TSHR (0.35) ALDH1A1AHRMAPK1PDPK1
SCHEMBL12360647 0.75 ALDH1A1 (0.39) ALDH1A1AHRMAPK1CA1CA2
SCHEMBL1770665 0.75 ALDH1A1 (0.33) ALDH1A1AHRMAPK1CA1CA2
SCHEMBL14665275 0.74 AHR (0.36) AHRPARP1
SCHEMBL10830794 0.73 ALDH1A1 (0.38) ALDH1A1AHR
SCHEMBL18242188 0.73 ALDH1A1 (0.38) ALDH1A1CA1CA2CA4CA6
SCHEMBL28773713 0.72 ALDH1A1 (0.32) ALDH1A1AHR
SCHEMBL12295350 0.72 CYP1A2 (0.38) ALDH1A1
SCHEMBL31076311 0.72 CYP1A2 (0.35) ALDH1A1PDPK1TDP1
SCHEMBL10837190 0.71 ALDH1A1 (0.33) ALDH1A1MAPK1BACE1TDP1

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-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-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-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