SCHEMBL2173168

SCHEMBL2173168

NC(=O)C(=O)NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.57
LIPE Q05469 1/20 0.54
EPHX1 P07099 2/20 0.53
DPP4 P27487 2/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL1677139 0.91 EPHX2 (0.57) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1676913 0.89 EPHX2 (0.63) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1676930 0.86 EPHX2 (0.52) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1677155 0.86 EPHX2 (0.54) EPHX2LIPEEPHX1DPP4MEN1
SCHEMBL1677130 0.86 EPHX2 (0.52) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1677178 0.85 EPHX2 (0.64) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1677118 0.85 EPHX2 (0.60) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1677075 0.84 EPHX2 (0.56) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1677127 0.83 EPHX2 (0.53) EPHX2LIPEEPHX1DPP4MMP2
SCHEMBL1676948 0.83 EPHX2 (0.70) EPHX2LIPEEPHX1KMT2A

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
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed