SCHEMBL8409446

SCHEMBL8409446

CC(C)c1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 2/20 0.36
AOC3 Q16853 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
PDE2A O00408 1/20 0.35
PPARD Q03181 5/20 0.34
PPARG P37231 3/20 0.34
NOS1 P29475 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL8408634 0.98 PPARA (0.38) PPARAHTTMAOBAOC3CHRNB2
SCHEMBL8408515 0.87 HTT (0.38) PPARAHTTMAOBAOC3PPARD
SCHEMBL8405781 0.86 HTT (0.40) PPARAHTTMAOB
SCHEMBL8405423 0.85 HTT (0.40) PPARAHTTPPARDPPARG
SCHEMBL8405684 0.85 HTT (0.40) HTT
SCHEMBL8409111 0.84 HTT (0.40) PPARAHTT
SCHEMBL8405535 0.84 PPARA (0.39) PPARAHTTMAOBAOC3CHRNB2
SCHEMBL8407683 0.83 PPARA (0.41) PPARAHTTMAOBAOC3CHRNB2
SCHEMBL8407345 0.83 HTT (0.40) PPARAHTTPPARDPPARG
SCHEMBL8405713 0.83 HTT (0.40) PPARAHTTPPARDPPARG

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
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 disclosed
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