SCHEMBL8632740

SCHEMBL8632740

CCOc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 6/20 0.61
LTA4H P09960 2/20 0.56
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.46
ATM Q13315 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NQO1 P15559 1/20 0.45
PTPN1 P18031 1/20 0.45
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL5083160 0.90 ALDH1A1 (0.56) ESRRALTA4HALDH1A1GAAATM
SCHEMBL7204289 0.86 ESRRA (0.72) ESRRAALDH1A1GAAATMXBP1
SCHEMBL8635710 0.86 LTA4H (0.54) ESRRALTA4HALDH1A1ATML3MBTL1
SCHEMBL8633867 0.81 LTA4H (0.61) LTA4HALDH1A1GAAL3MBTL1ALOX15
SCHEMBL12323552 0.80 ESRRA (0.65) ESRRAALDH1A1GAAATMNR1I2
SCHEMBL9150850 0.77 ALDH1A1 (0.53) ESRRALTA4HALDH1A1GAAATM
SCHEMBL2815926 0.77 GAA (0.58) ESRRALTA4HALDH1A1GAAATM
SCHEMBL8636430 0.77 LTA4H (0.59) LTA4HALDH1A1GAALMNAALOX15
SCHEMBL11347106 0.76 ESRRA (0.78) ESRRAALDH1A1ATMNR1H4POLB
SCHEMBL9008266 0.76 ESRRA (0.59) ESRRAALDH1A1GAAATMXBP1

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