SCHEMBL8406003

SCHEMBL8406003

CCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCCl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.32
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL8405371 0.96 HTT (0.36) HTTMCL1CYP3A4KCNH2CACNA1C
SCHEMBL8407296 0.92 HTT (0.40) HTTHPGDKDM4EALDH1A1GAA
SCHEMBL8409335 0.91 HTT (0.36) HTTMCL1HPGDKDM4EALDH1A1
SCHEMBL8408512 0.90 HTT (0.36) HTTMCL1KDM4EALDH1A1GAA
SCHEMBL7632961 0.90 HTT (0.36) HTTMCL1KDM4EALDH1A1
SCHEMBL7975746 0.90 HTT (0.36) HTTMCL1
SCHEMBL8405907 0.90 HTT (0.36) HTTMCL1CYP3A4KCNH2CACNA1C
SCHEMBL8405848 0.89 HTT (0.39) HTTMCL1CYP3A4KCNH2CACNA1C
SCHEMBL7977565 0.89 HTT (0.35) HTTMCL1KDM4EALDH1A1
SCHEMBL6549213 0.89 HTT (0.35) HTTMCL1

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