SCHEMBL7638014

SCHEMBL7638014

CC(C)=CCOCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MTNR1A P48039 1/20 0.33
MAOB P27338 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
GAA P10253 4/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MGAM O43451 3/20 0.30
SI P14410 3/20 0.30

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
SCHEMBL7629749 0.97 HTT (0.37) HTTKDM4EALDH1A1MTNR1AMAOB
SCHEMBL7638009 0.93 HTT (0.38) HTTMAPTHPGD
SCHEMBL7638008 0.93 HTT (0.38) HTTMAPTHPGD
SCHEMBL7635389 0.93 HTT (0.35) HTTMAPTHPGD
SCHEMBL7635749 0.92 HTT (0.35) HTTS1PR2S1PR1S1PR3LPAR2
SCHEMBL7631827 0.92 HTT (0.35) HTTS1PR2S1PR1S1PR3LPAR2
SCHEMBL7630354 0.90 HTT (0.35) HTTMAPTHPGD
SCHEMBL8660395 0.87 HTT (0.43) HTTKDM4EALDH1A1MTNR1AMAOB
SCHEMBL8408754 0.87 HTT (0.39) HTTKDM4EALDH1A1S1PR2S1PR1
SCHEMBL7629669 0.87 HTT (0.32) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888270-B1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2002-04-17 EP disclosed
EP-0888270-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-07 EP disclosed
WO-1997028112-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-07 WO disclosed