SCHEMBL7063016

SCHEMBL7063016

C=C(Oc1c(Br)cc(Br)cc1CCCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NOD2 Q9HC29 1/20 0.36
GPR35 Q9HC97 5/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PTPN1 P18031 1/20 0.33
NR4A1 P22736 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7160671 0.84 THRB (0.48) THRATHRBGPR35PPARGPPARA
SCHEMBL7154880 0.84 THRB (0.48) THRATHRBGPR35PPARGPPARA
SCHEMBL447954 0.83 MAPT (0.46) THRBLMNAMAPTKDM4EGPR35
SCHEMBL6514876 0.79 THRB (0.54) ALOX5THRATHRBPPARGPPARA
SCHEMBL7708479 0.78 TSHR (0.49) ALOX5THRATHRBALDH1A1MEN1
SCHEMBL7067451 0.76 GPR35 (0.42) THRATHRBLMNAMAPTKDM4E
SCHEMBL7065852 0.74 GPR35 (0.40) THRATHRBLMNAMAPTKDM4E
SCHEMBL7702677 0.73 THRB (0.44) ALOX5THRATHRBALDH1A1MEN1
SCHEMBL7067194 0.73 THRA (0.50) ALOX5THRATHRBKDM4EGPR35
SCHEMBL7067841 0.73 THRA (0.50) ALOX5THRATHRBKDM4EGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP claimed
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
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP disclosed
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