SCHEMBL8339293

SCHEMBL8339293

CCOC(C)OCC.O=CCOc1cc(Cl)c(OCCCCOc2ccc(C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.36
PPARD Q03181 6/20 0.36
PPARG P37231 4/20 0.36
FFAR1 O14842 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
MAOB P27338 1/20 0.34
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL8341924 0.89 PPARA (0.39) PPARAPPARDCHRNB2CHRNB4CHRNA3
SCHEMBL8344899 0.86 DRD4 (0.35) PPARAFFAR1
SCHEMBL8339295 0.81 PPARD (0.41) PPARAPPARDPPARGFFAR1CHRNB2
SCHEMBL27467410 0.77 PPARA (0.40) PPARAPPARDFFAR1CHRNB2CHRNB4
SCHEMBL8405597 0.76 MAOB (0.39) PPARAPPARDFFAR1CHRNB2CHRNB4
SCHEMBL8409237 0.75 MAOB (0.40) PPARAPPARDCHRNB2CHRNB4CHRNA3
SCHEMBL8409239 0.75 MAOB (0.40) PPARAPPARDCHRNB2CHRNB4CHRNA3
SCHEMBL5645717 0.75 FFAR1 (0.43) FFAR1
SCHEMBL8339298 0.74 MAOB (0.40) PPARAPPARDCHRNB2CHRNB4CHRNA3
SCHEMBL8339294 0.74 MAOB (0.40) PPARAPPARDCHRNB2CHRNB4CHRNA3

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
EP-0787710-A1 Fluoropropene compound, an insecticide containing the same and an intermediate for production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-06 EP disclosed