SCHEMBL7160671

SCHEMBL7160671

C=C(Oc1c(Br)cc(CCCCCCCCC)cc1Br)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.48
THRA P10827 5/20 0.48
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
GPR84 Q9NQS5 2/20 0.39
PTGS2 P35354 4/20 0.39
GPR35 Q9HC97 4/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7154880 1.00 THRB (0.48) THRBTHRAPPARAPPARGGPR84
SCHEMBL7063016 0.84 ALOX5 (0.39) THRBTHRAPPARAPPARGGPR35
SCHEMBL28827327 0.83 THRB (0.51) THRBTHRAGPR84PTGS2CYP3A4
SCHEMBL28061729 0.83 THRB (0.51) THRBTHRAGPR84PTGS2CYP3A4
SCHEMBL447954 0.81 MAPT (0.46) THRBGPR35
SCHEMBL10582524 0.77 THRB (0.59) THRBTHRAPPARAPPARGPTGS2
SCHEMBL4647837 0.77 THRB (0.59) THRBTHRAGPR84PTGS2
SCHEMBL4645645 0.77 THRB (0.59) THRBTHRAGPR84PTGS2
SCHEMBL3411706 0.77 THRB (0.47) THRBTHRAGPR84PTGS2CYP3A4
SCHEMBL7711136 0.76 THRB (0.60) THRBTHRAGPR84PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109776-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-06-27 EP claimed
WO-2000014050-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-16 WO claimed
US-6533959-B2 Formed from monomers such as 2-(4,6-dibromo-2-isopropyl phenoxy)ethyl acrylate; high index of refraction, useful to control flow and intensity of light 3M INNOVATIVE PROPERTIES COMPANY 2003-03-18 US disclosed
US-6359170-B1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-03-19 US disclosed