SCHEMBL8408908

SCHEMBL8408908

OCCC=Cc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.61
PTGS1 P23219 3/20 0.53
PTGS2 P35354 1/20 0.53
NQO2 P16083 1/20 0.51
FBP1 P09467 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
NPC1 O15118 1/20 0.46
CHRM5 P08912 1/20 0.46
GRM5 P41594 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
RELA Q04206 1/20 0.45
APP P05067 1/20 0.41

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
SCHEMBL8408904 1.00 NFE2L2 (0.61) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL1464098 0.85 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL1431422 0.85 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL1431132 0.85 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL29743079 0.85 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL27617456 0.82 NFE2L2 (0.56) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL7850687 0.80 NFE2L2 (0.59) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL7850691 0.80 NFE2L2 (0.59) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL18643997 0.79 HDAC1 (0.40) NFE2L2PTGS1NQO2CYP1A2CYP3A4
SCHEMBL6255172 0.78 CYP19A1 (0.55) CYP3A4NPC1

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