SCHEMBL7979403

SCHEMBL7979403

Cc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCCNCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 9/20 0.42
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN2A Q99250 1/20 0.32
GAA P10253 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
PDE2A O00408 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
SCHEMBL7979520 0.97 SCN8A (0.45) SCN8APPARDPPARGPPARAKDM1A
SCHEMBL7979631 0.95 SCN8A (0.38) SCN8APPARDPPARGPPARATP53
SCHEMBL7965836 0.93 SCN8A (0.37) SCN8APPARDPPARGPPARATP53
SCHEMBL7977978 0.92 SCN8A (0.40) SCN8APPARDPPARGPPARAKDM1A
SCHEMBL7979378 0.90 SCN8A (0.39) SCN8APPARDPPARGPPARAKDM1A
SCHEMBL7976161 0.90 SCN8A (0.34) SCN8APPARDKDM1AMAOAMAOB
SCHEMBL7976373 0.90 SCN8A (0.34) SCN8AKDM1AMAOAMAOBALDH1A1
SCHEMBL7979536 0.89 KDM4E (0.35) SCN8APPARGKDM1AMAOAMAOB
SCHEMBL7979291 0.87 SCN8A (0.37) SCN8AKDM1AMAOAMAOBKDM4E
SCHEMBL7982189 0.87 SCN8A (0.37) SCN8APPARDKDM1AMAOAMAOB

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