SCHEMBL8633555

SCHEMBL8633555

FC(F)(F)c1cc(Oc2cccc(-c3ccccc3)c2)ccc1OCC=C(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 2/20 0.40
NR1H2 P55055 8/20 0.40
NR1H3 Q13133 8/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
AR P10275 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CETP P11597 1/20 0.35
SCN9A Q15858 1/20 0.35
TRPA1 O75762 1/20 0.35
GGPS1 O95749 1/20 0.34

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
SCHEMBL8632099 0.93 AR (0.38) FFAR4FFAR1NR1H2NR1H3HDAC1
SCHEMBL8635881 0.92 NR1H2 (0.38) NR1H2NR1H3THRATHRBAR
SCHEMBL8635708 0.92 AR (0.39) NR1H2NR1H3HDAC1HDAC2THRA
SCHEMBL8632777 0.89 FFAR4 (0.40) FFAR4FFAR1NR1H2NR1H3HDAC1
SCHEMBL8634753 0.88 AR (0.36) NR1H2NR1H3AR
SCHEMBL8631620 0.86 MAOB (0.43) THRATHRBRXRARXRBRXRG
SCHEMBL8637041 0.85 AR (0.50) FFAR1AR
SCHEMBL8632594 0.85 MAPT (0.43) AR
SCHEMBL8638227 0.85 PARG (0.39) THRATHRBAR
SCHEMBL8636967 0.84 MAPK1 (0.43) FFAR1ARRXRARXRBRXRG

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