SCHEMBL8405404

SCHEMBL8405404

Oc1c(F)cc(OCC=C(Cl)Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.32
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
STAT3 P40763 1/20 0.30
NFE2L2 Q16236 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL8405762 0.90 HTT (0.37) HTT
SCHEMBL8408852 0.89 HTT (0.36) HTTPTGESALOX5PTGS1STAT3
SCHEMBL8405332 0.89 HTT (0.39) HTTPTGESALOX5PTGS1STAT3
SCHEMBL8405655 0.86 HTT (0.40) HTTMAOBAOC3PTGESALOX5
SCHEMBL8407469 0.86 HTT (0.35) HTT
SCHEMBL8409086 0.85 GSR (0.37) HTT
SCHEMBL8408843 0.81 MAOB (0.32) MAOBAOC3PTGESALOX5PTGS1
SCHEMBL2352377 0.81 HTT (0.44) HTTMAOBAOC3ESR1ESR2
SCHEMBL2166615 0.79 HTT (0.41) HTTPTGS1ESR1ESR2
SCHEMBL8408786 0.78 HTT (0.36) HTT

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