SCHEMBL7979320

SCHEMBL7979320

CCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
PPARD Q03181 10/20 0.35
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
SCN8A Q9UQD0 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CACNA1B Q00975 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL7977675 0.97 HTT (0.38) HTTPPARDPPARAPPARGSCN8A
SCHEMBL7975920 0.94 HTT (0.40) HTTPPARDPPARAPPARGSCN8A
SCHEMBL8629077 0.92 SCN8A (0.40) HTTPPARDPPARAPPARGSCN8A
SCHEMBL7976269 0.91 HTT (0.40) HTTPPARDPPARAPPARGSCN8A
SCHEMBL7965793 0.89 HTT (0.39) HTTNPSR1L3MBTL1RHOCRHOA
SCHEMBL8658732 0.89 PPARD (0.41) HTTPPARDPPARAPPARG
SCHEMBL7979566 0.89 SCN8A (0.43) HTTPPARDPPARAPPARGSCN8A
SCHEMBL7976122 0.89 HTT (0.36) HTTPPARDSCN8ACACNA1BRHOC
SCHEMBL7076480 0.88 GAA (0.38) PPARDPPARAPPARG
SCHEMBL7979322 0.88 PPARD (0.42) PPARDPPARAPPARGL3MBTL1RHOC

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