SCHEMBL8637041

SCHEMBL8637041

FC(F)(F)c1cc(Oc2cccc(Cl)c2)ccc1OCC=C(Br)Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
EPAS1 Q99814 1/20 0.43
MRGPRX4 Q96LA9 5/20 0.40
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
FFAR1 O14842 1/20 0.38
MAPK10 P53779 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
P2RX4 Q99571 2/20 0.38
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CDK8 P49336 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
SCHEMBL8633895 0.89 AR (0.51) AREPAS1MRGPRX4PPARGPPARD
SCHEMBL8634753 0.89 AR (0.36) ARMRGPRX4PPARDMAOBAOC3
SCHEMBL8635881 0.88 NR1H2 (0.38) ARMRGPRX4PPARGMAOBAOC3
SCHEMBL8635708 0.88 AR (0.39) ARPPARGPPARDMAOBAOC3
SCHEMBL8631620 0.87 MAOB (0.43) EPAS1MRGPRX4MAOBAOC3CDK8
SCHEMBL8632594 0.86 MAPT (0.43) ARMAPK10
SCHEMBL8633555 0.85 FFAR4 (0.40) ARFFAR1
SCHEMBL8636967 0.85 MAPK1 (0.43) ARPPARDFFAR1
SCHEMBL8632751 0.84 FFAR1 (0.37) AREPAS1PPARGFFAR1MAOB
SCHEMBL8632883 0.84 PPARD (0.39) MRGPRX4PPARGPPARDFFAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed