SCHEMBL7977675

SCHEMBL7977675

CCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SCN8A Q9UQD0 2/20 0.37
PPARD Q03181 8/20 0.35
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDH1 O75874 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
SCHEMBL7979320 0.97 HTT (0.37) HTTSCN8APPARDPPARAPPARG
SCHEMBL7976269 0.94 HTT (0.40) HTTSCN8APPARDPPARAPPARG
SCHEMBL7979566 0.92 SCN8A (0.43) HTTSCN8APPARDPPARAPPARG
SCHEMBL7975920 0.91 HTT (0.40) HTTSCN8APPARDPPARAPPARG
SCHEMBL7976320 0.89 HTT (0.40) HTTPPARGMAPTRHOCRHOA
SCHEMBL8629077 0.89 SCN8A (0.40) HTTSCN8APPARDPPARAPPARG
SCHEMBL7979390 0.88 SCN8A (0.38) HTTSCN8APPARDPPARAPPARG
SCHEMBL7079367 0.88 POLB (0.38) SCN8APPARDPPARAPPARGSCN9A
SCHEMBL8408708 0.88 PPARD (0.43) HTTPPARDPPARAPPARG
SCHEMBL8658732 0.88 PPARD (0.41) HTTPPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
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