SCHEMBL7952744

SCHEMBL7952744

C=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.48
LIPE Q05469 1/20 0.48
EPHX1 P07099 2/20 0.47
HTR2A P28223 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL1676915 0.86 EPHX2 (0.62) EPHX2LIPEEPHX1HTR2AMEN1
SCHEMBL7953960 0.84 HTR2A (0.47) EPHX2LIPEEPHX1HTR2AMEN1
SCHEMBL7955680 0.81 MEN1 (0.60) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL7882037 0.76 CA12 (0.40) EPHX2LIPEEPHX1KMT2AMMP2
SCHEMBL8232185 0.76 EPHX2 (0.84) EPHX2EPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL7895732 0.76 EPHX2 (0.51) EPHX2LIPEEPHX1L3MBTL1DPP4
SCHEMBL2171815 0.74 EPHX2 (0.61) EPHX2LIPEEPHX1HTR2AMEN1
SCHEMBL424511 0.73 EPHX2 (0.60) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL1244796 0.72 FFAR4 (0.50) LIPE
SCHEMBL1723334 0.71 DPP4 (0.56) LIPEMMP2L3MBTL1DPP4SMN1; SMN2

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
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed