SCHEMBL8632004

SCHEMBL8632004

Oc1ccc(Oc2ccc3ccccc3c2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.47
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
PARG Q86W56 1/20 0.41
MAPK10 P53779 1/20 0.41
GAA P10253 1/20 0.41
RCE1 Q9Y256 1/20 0.41
ESRRA P11474 2/20 0.41
ALOX5 P09917 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
ABL1 P00519 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL16648399 0.88 ESRRA (0.49) ARHSD17B1HSD17B2ESRRA
SCHEMBL8633068 0.86 AR (0.49) ARESRRA
SCHEMBL8632090 0.83 AR (0.47) ARHSD17B1HSD17B2GAAESRRA
SCHEMBL8633991 0.82 HSD17B1 (0.47) ARHSD17B1HSD17B2GAAESRRA
SCHEMBL28286640 0.80 GAA (0.53) ARMAPK10GAARCE1MAOA
SCHEMBL8636220 0.80 HSD17B1 (0.46) ARHSD17B1HSD17B2ESRRAALOX5
SCHEMBL8635974 0.79 ESRRA (0.46) ARESRRACA1CA2CA9
SCHEMBL8636487 0.79 THRA (0.46) ARHSD17B1HSD17B2MAOBCYP1A2
SCHEMBL8636426 0.78 ESRRA (0.45) ARMAPK10ESRRA
SCHEMBL8635438 0.78 LTA4H (0.50) ARGAAESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080251-C Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use inproduct of said dihalopropene compounds SUMITOMO CHEMICAL CO (JP) 2002-03-06 CN disclosed
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