SCHEMBL8408399

SCHEMBL8408399

Cc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
FFAR4 Q5NUL3 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 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
SCHEMBL8408769 0.96 HTT (0.37) HTTFFAR4KDM4EALDH1A1CYP1A2
SCHEMBL8407866 0.92 KDM4E (0.36) HTTFFAR4KDM4EALDH1A1CYP1A2
SCHEMBL8405907 0.90 HTT (0.36) HTTFFAR4KDM4EALDH1A1MEN1
SCHEMBL8405848 0.88 HTT (0.39) HTTFFAR4KDM4EALDH1A1CYP1A2
SCHEMBL8407281 0.88 KDM4E (0.38) HTTFFAR4KDM4EALDH1A1CYP1A2
SCHEMBL8405401 0.87 HTT (0.38) HTTFFAR4KDM4EALDH1A1CYP1A2
SCHEMBL8405318 0.87 KDM4E (0.37) FFAR4KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL8405628 0.87 HTT (0.38) HTTFFAR4KDM4EALDH1A1CYP1A2
SCHEMBL8409074 0.86 HTT (0.35) HTTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL8407738 0.85 TP53 (0.40) HTTFFAR4KDM4EALDH1A1CYP1A2

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