SCHEMBL8409111

SCHEMBL8409111

CC(C)c1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCCOc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH3A1 P30838 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
KCNA3 P22001 1/20 0.34
KCNA5 P22460 1/20 0.34
HRH3 Q9Y5N1 8/20 0.33
GLRA1 P23415 1/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8405781 0.98 HTT (0.40) HTTDRD2DRD4DRD3SIGMAR1
SCHEMBL8407345 0.89 HTT (0.40) HTTDRD2DRD4DRD3PPARA
SCHEMBL8405713 0.89 HTT (0.40) HTTPPARAKMT2AGLRA1ALDH1A1
SCHEMBL8405684 0.87 HTT (0.40) HTTMEN1KMT2AGLRA1ALDH1A1
SCHEMBL8405423 0.87 HTT (0.40) HTTDRD2DRD4DRD3PPARA
SCHEMBL8408515 0.86 HTT (0.38) HTTPPARAKCNH2ALDH1A1
SCHEMBL8408634 0.86 PPARA (0.38) HTTPPARA
SCHEMBL8409223 0.86 HTT (0.36) HTTGLRA1
SCHEMBL8408452 0.85 HTT (0.35) HTTGLRA1ALDH1A1
SCHEMBL8408524 0.84 HTT (0.37) HTTGLRA1

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