SCHEMBL8408754

SCHEMBL8408754

ClC(Cl)=CCOc1cc(Cl)c(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
PLAU P00749 1/20 0.36
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 4/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8408794 0.97 HTT (0.39) HTTPLAUMAPTHPGDMAPK1
SCHEMBL8405615 0.95 HTT (0.36) HTTPLAUMAPTHPGDMAPK1
SCHEMBL7635389 0.94 HTT (0.35) HTTPLAUMAPTHPGDMAPK1
SCHEMBL8407374 0.94 HTT (0.35) HTTPLAUMAPTHPGDMAPK1
SCHEMBL3237838 0.94 HTT (0.35) HTTPLAUMAPTHPGDMAPK1
SCHEMBL3138415 0.93 HTT (0.37) HTTPLAUMAPTHPGDMAPK1
SCHEMBL13750519 0.92 KDM4E (0.40) HTTPLAUMAPTHPGDMAPK1
SCHEMBL7631827 0.92 HTT (0.35) HTTPLAUS1PR2S1PR1S1PR3
SCHEMBL7982140 0.92 HTT (0.35) HTTPLAUKDM4ETHRB
SCHEMBL6548456 0.92 PLAU (0.35) HTTPLAUKDM4E

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