SCHEMBL8409231

SCHEMBL8409231

Cc1cc(OCC=C(Br)Br)cc(F)c1O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 2/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
STAT3 P40763 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL7979194 0.89 PTGS1 (0.37) ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL8408843 0.89 MAOB (0.32) PTGS1PTGESALOX5STAT3NFE2L2
SCHEMBL8405332 0.84 HTT (0.39) PTGS1PTGS2PTGESALOX5STAT3
SCHEMBL8407153 0.83 PTGS2 (0.33) ALDH1A1PTGS1PTGS2ALOX5
SCHEMBL8405435 0.83 PTGES (0.31) PTGS1PTGESALOX5STAT3NFE2L2
SCHEMBL8405553 0.82 ALOX5 (0.34) ALDH1A1PTGS1PTGESALOX5STAT3
SCHEMBL8409279 0.81 MCL1 (0.33)
SCHEMBL7981782 0.81 MCL1 (0.33) PTGS1PTGS2
SCHEMBL8405660 0.81 GSR (0.41)
SCHEMBL8405440 0.80 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2ALOX5

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
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed