SCHEMBL8412042

SCHEMBL8412042

CCc1cc(OCC=C(F)Cl)cc(CC)c1OCCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
AOC3 Q16853 1/20 0.41
PPARA Q07869 9/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 6/20 0.40
CYP1A1 P04798 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35

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
SCHEMBL8412039 1.00 MAOB (0.41) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8341962 0.98 MAOB (0.41) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8341965 0.98 MAOB (0.41) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8412636 0.94 PPARD (0.42) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8412641 0.94 PPARD (0.42) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8407683 0.92 PPARA (0.41) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8345721 0.92 PPARD (0.40) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8345719 0.92 PPARD (0.40) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8407714 0.90 PPARA (0.41) MAOBAOC3PPARAPPARGPPARD
SCHEMBL8412052 0.89 MAOB (0.41) MAOBAOC3PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787710-B1 Fluoropropene compound, an insecticide containing the same and an intermediate for production thereof SUMITOMO CHEMICAL CO (JP) 1999-07-28 EP disclosed
US-5869506-A APPLYING TO ACARIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-09 US disclosed
CN-1167104-A Fluoropropene compound, insecticide containing the same and intermediate for production thereof SUMITOMO CHEMICAL CO (JP) 1997-12-10 CN disclosed