Benzene

Benzene

SCHEMBL28758814

CCCCCCCS(=O)(=O)O.c1ccccc1

nearest known ligand 0.51

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
FAAH O00519 5/20 0.50
CA2 P00918 3/20 0.45
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
APP P05067 1/20 0.42
CA1 P00915 2/20 0.42
CES1 P23141 5/20 0.41
CES2 O00748 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 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
Benzene SCHEMBL11150225 1.00 EPHX2 (0.51) EPHX2FAAHCA2S1PR2S1PR1
Benzene SCHEMBL27649746 1.00 EPHX2 (0.51) EPHX2FAAHCA2S1PR2S1PR1
Benzene SCHEMBL112147 1.00 EPHX2 (0.51) EPHX2FAAHCA2S1PR2S1PR1
Benzene SCHEMBL27649739 1.00 EPHX2 (0.51) EPHX2FAAHCA2S1PR2S1PR1
SCHEMBL528580 0.93 FAAH (0.56) EPHX2FAAHCA2APPCA1
SCHEMBL22200 0.93 FAAH (0.56) EPHX2FAAHCA2APPCA1
SCHEMBL7520221 0.93 FAAH (0.56) EPHX2FAAHCA2APPCA1
SCHEMBL150843 0.93 FAAH (0.56) EPHX2FAAHCA2APPCA1
SCHEMBL22608765 0.93 FAAH (0.56) EPHX2FAAHCA2APPCA1
SCHEMBL8931625 0.93 FAAH (0.56) EPHX2FAAHCA2APPCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381421-C Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2008-04-16 CN disclosed
CN-1871212-A Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2006-11-29 CN disclosed