SCHEMBL8634769

SCHEMBL8634769

CCOc1ccc(Oc2ccc(OCC=C(Br)Br)c(C(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
THRB P10828 1/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 5/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
NQO1 P15559 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8636446 0.90 LTA4H (0.40) LTA4HMAPTACACBACACANQO1
SCHEMBL8637643 0.90 THRB (0.40) THRBRORCMAPTACACBACACA
SCHEMBL8635020 0.90 LTA4H (0.40) LTA4HTHRBRORCL3MBTL1ALDH1A1
SCHEMBL8632756 0.90 MAPT (0.39) LTA4HTHRBRORCMAPTACACB
SCHEMBL8632604 0.89 ACACB (0.37) THRBRORCACACBACACAGAA
SCHEMBL8632642 0.87 LTA4H (0.42) LTA4HTHRBRORCMAPTACACB
SCHEMBL8635872 0.87 THRB (0.41) THRBRORCMAPTACACBTSHR
SCHEMBL8636284 0.84 LTA4H (0.44) LTA4HTHRBMAPTNQO1L3MBTL1
SCHEMBL8634072 0.84 MEN1 (0.46) THRBRORCACACBL3MBTL1TSHR
SCHEMBL8633025 0.83 LTA4H (0.43) LTA4HMAPTACACBACACANQO1

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