SCHEMBL538758

SCHEMBL538758

COC(=CC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(I)C1)C(=O)NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.46
EPHX1 P07099 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
DPP4 P27487 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
POLB P06746 1/20 0.39
LIPE Q05469 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPA1 O75762 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL419730 0.85 EPHX2 (0.61) EPHX2EPHX1L3MBTL1LIPE
SCHEMBL419732 0.85 EPHX2 (0.61) EPHX2EPHX1L3MBTL1LIPE
SCHEMBL419731 0.85 EPHX2 (0.61) EPHX2EPHX1L3MBTL1LIPE
SCHEMBL7895732 0.79 EPHX2 (0.51) EPHX2EPHX1L3MBTL1DPP4DPP7
SCHEMBL539326 0.79 EPHX2 (0.42) EPHX2EPHX1MMP9MMP1MMP13
SCHEMBL539061 0.76 EPHX2 (0.46) EPHX2EPHX1MMP9MMP1MMP13
SCHEMBL426160 0.75 EPHX2 (0.52) EPHX2EPHX1L3MBTL1DPP4LIPE
SCHEMBL426158 0.75 EPHX2 (0.52) EPHX2EPHX1L3MBTL1DPP4LIPE
SCHEMBL426159 0.75 EPHX2 (0.52) EPHX2EPHX1L3MBTL1DPP4LIPE
SCHEMBL2171738 0.74 EPHX2 (0.43) EPHX2EPHX1MMP9MMP1MMP13

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-2414332-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2012-02-08 EP disclosed
WO-2010114181-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-07 WO disclosed