SCHEMBL7955680

SCHEMBL7955680

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
EPHX2 P34913 4/20 0.57
DPP4 P27487 1/20 0.56
LIPE Q05469 2/20 0.54
EPHX1 P07099 2/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
GAA P10253 1/20 0.49
TDO2 P48775 2/20 0.47
SCN9A Q15858 1/20 0.46

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 0.92 EPHX2 (0.62) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL2171815 0.83 EPHX2 (0.61) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL19215178 0.83 MEN1 (0.62) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL6329625 0.82 PKM (0.64) GAA
SCHEMBL8206337 0.82 PKM (0.64) GAA
SCHEMBL1677164 0.82 MEN1 (0.58) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL1677161 0.82 MEN1 (0.58) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL424511 0.81 EPHX2 (0.60) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL7952744 0.81 EPHX2 (0.48) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL421636 0.78 EPHX2 (0.57) MEN1KMT2AEPHX2DPP4LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed