SCHEMBL8407683

SCHEMBL8407683

CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.41
HTT P42858 1/20 0.41
PPARD Q03181 6/20 0.41
PPARG P37231 6/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
MAOB P27338 2/20 0.39
AOC3 Q16853 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35

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
SCHEMBL8407714 0.98 PPARA (0.41) PPARAHTTPPARDPPARGCYP1A1
SCHEMBL8408708 0.94 PPARD (0.43) PPARAHTTPPARDPPARGCYP1A1
SCHEMBL8412039 0.92 MAOB (0.41) PPARAPPARDPPARGCYP1A1CYP1B1
SCHEMBL8412042 0.92 MAOB (0.41) PPARAPPARDPPARGCYP1A1CYP1B1
SCHEMBL8658732 0.91 PPARD (0.41) PPARAHTTPPARDPPARGCYP1A1
SCHEMBL8341965 0.90 MAOB (0.41) PPARAPPARDPPARGCYP1A1CYP1B1
SCHEMBL8341962 0.90 MAOB (0.41) PPARAPPARDPPARGCYP1A1CYP1B1
SCHEMBL8407861 0.89 HTT (0.41) PPARAHTTPPARDPPARGMAOB
SCHEMBL8412052 0.88 MAOB (0.41) PPARAPPARDPPARGCYP1A1CYP1B1
SCHEMBL8412050 0.88 MAOB (0.41) PPARAPPARDPPARGCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US claimed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP claimed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP claimed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO claimed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed