SCHEMBL8493583

SCHEMBL8493583

O=S(=O)(Cc1ccc(C(O)c2ccc(Cl)cc2)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
GAA P10253 1/20 0.39
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 2/20 0.34
CYP3A4 P08684 1/20 0.34
PPARG P37231 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8494975 0.86 CNR2 (0.37) CNR2GAAGABBR2GABBR1KMT2A
SCHEMBL8497512 0.81 CNR2 (0.36) CNR2GAAGABBR2GABBR1KMT2A
SCHEMBL8494889 0.79 SRD5A2 (0.46) SMN1; SMN2L3MBTL1PPARAPPARGALDH1A1
SCHEMBL8497178 0.78 SMN1; SMN2 (0.44) CNR2GABBR2GABBR1KMT2AMEN1
SCHEMBL8490640 0.76 PPARG (0.38) GAAKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL8493922 0.76 CNR2 (0.37) CNR2GAAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL8490755 0.75 CNR2 (0.36) CNR2GAAKMT2AMEN1KDM4E
SCHEMBL1344832 0.72 PTGS2 (0.54) KMT2ATSHR
SCHEMBL1343669 0.72 PTGS2 (0.54) KMT2ATSHR
SCHEMBL8494262 0.72 L3MBTL1 (0.36) GAAKMT2AMEN1KDM4EL3MBTL1

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-0766666-B1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-03-17 EP disclosed
US-5728699-A Benzylsulfide derivative, process for its production and pesticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-17 US disclosed
EP-0766666-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-09 EP disclosed
WO-1996033168-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-24 WO disclosed