SCHEMBL8634546

SCHEMBL8634546

CCCCCc1ccc(Oc2ccc(OCC=C(Br)Br)c(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
THRB P10828 3/20 0.38
THRA P10827 2/20 0.38
PSEN1 P49768 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
PTGES O14684 1/20 0.36

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
SCHEMBL8635945 0.89 S1PR1 (0.43) S1PR1THRBTHRAPSEN1ALOX5
SCHEMBL8632793 0.89 LTA4H (0.43) S1PR1THRBTHRAPSEN1ALOX5
SCHEMBL8635188 0.85 S1PR1 (0.37) S1PR1THRBTHRAPSEN1ALOX5
SCHEMBL8632120 0.84 LTA4H (0.43) S1PR1THRBTHRAALOX5PPARG
SCHEMBL8638264 0.84 LMNA (0.44)
SCHEMBL8637887 0.83 L3MBTL1 (0.39)
SCHEMBL8638939 0.82 SLC6A4 (0.41) THRBPSEN1ALOX5PPARG
SCHEMBL8635708 0.82 AR (0.39) THRBTHRAPSEN1ALOX5PPARG
SCHEMBL8633959 0.81 MAPT (0.39) PSEN1ALOX5PPARG
SCHEMBL8632656 0.81 KDM4E (0.37) S1PR1

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