SCHEMBL8629077

SCHEMBL8629077

Cc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.40
HTT P42858 1/20 0.39
PPARD Q03181 4/20 0.35
CACNA1B Q00975 1/20 0.35
TP53 P04637 2/20 0.33
MAPK1 P28482 1/20 0.33
PPARA Q07869 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
FFAR4 Q5NUL3 1/20 0.33
RHOC P08134 2/20 0.33
RHOA P61586 2/20 0.33
PPARG P37231 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SCN9A Q15858 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7979566 0.97 SCN8A (0.43) SCN8AHTTPPARDCACNA1BPPARA
SCHEMBL7976122 0.94 HTT (0.36) SCN8AHTTPPARDCACNA1BTP53
SCHEMBL7979320 0.92 HTT (0.37) SCN8AHTTPPARDCACNA1BPPARA
SCHEMBL7979390 0.91 SCN8A (0.38) SCN8AHTTPPARDCACNA1BPPARA
SCHEMBL7977675 0.89 HTT (0.38) SCN8AHTTPPARDCACNA1BPPARA
SCHEMBL7977794 0.88 HTT (0.37) SCN8AHTTCACNA1BCYP3A4RHOC
SCHEMBL8659999 0.88 HTT (0.37) SCN8AHTTPPARDCACNA1BRHOC
SCHEMBL7976362 0.88 HTT (0.41) HTTTP53MAPK1CYP3A4KCNH2
SCHEMBL7975920 0.88 HTT (0.40) SCN8AHTTPPARDCACNA1BPPARA
SCHEMBL7981953 0.86 RHOC (0.44) PPARDRHOCRHOAALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed