SCHEMBL8632090

SCHEMBL8632090

Oc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.47
NR1H2 P55055 2/20 0.46
LTA4H P09960 1/20 0.46
BAX Q07812 1/20 0.46
ESRRA P11474 1/20 0.44
PDK2 Q15119 1/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
AKR1C3 P42330 1/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL8633068 0.97 AR (0.49) ARNR1H2LTA4HBAXESRRA
SCHEMBL8636220 0.89 HSD17B1 (0.46) ARNR1H2ESRRAHSD17B1HSD17B2
SCHEMBL8633991 0.89 HSD17B1 (0.47) ARNR1H2LTA4HBAXESRRA
SCHEMBL16648399 0.88 ESRRA (0.49) ARESRRAALDH1A1HSD17B1HSD17B2
SCHEMBL8633891 0.87 SMN1; SMN2 (0.50) ARESRRAMEN1ALDH1A1GAA
SCHEMBL8636487 0.85 THRA (0.46) ARLTA4HALDH1A1MAPTHSD17B1
SCHEMBL8633887 0.84 AR (0.63) ARESRRAHSD17B1HSD17B2
SCHEMBL8632004 0.83 AR (0.47) ARESRRAGAAHSD17B1HSD17B2
SCHEMBL8637055 0.83 AR (0.43) ARESRRAPDK2MEN1ALDH1A1
SCHEMBL8634042 0.83 MAPK1 (0.51) ARLTA4HPDK2MEN1ALDH1A1

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-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
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