SCHEMBL13201298

SCHEMBL13201298

O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LIPE Q05469 2/20 0.45
AKR1C3 P42330 1/20 0.45
EPHX1 P07099 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MMP9 P14780 2/20 0.40
MMP2 P08253 1/20 0.40
DPP4 P27487 3/20 0.39

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
SCHEMBL8327339 0.85 EPHX2 (0.45) EPHX2MEN1KMT2AAKR1C3
SCHEMBL2969395 0.81 TDP1 (0.41) MEN1KMT2AMMP2L3MBTL1
SCHEMBL8327403 0.81 TDP1 (0.41) L3MBTL1
SCHEMBL8320723 0.81 PSEN1 (0.43) EPHX2MEN1KMT2AMMP9MMP2
SCHEMBL8320725 0.81 EPHX2 (0.42) EPHX2AKR1C3L3MBTL1
SCHEMBL8320747 0.81 TDP1 (0.41) MEN1KMT2AMMP2L3MBTL1
SCHEMBL2953994 0.81 ACHE (0.54) EPHX2MEN1KMT2AAKR1C3MMP2
SCHEMBL2964063 0.81 PSEN1 (0.43) EPHX2MEN1KMT2AMMP9MMP2
SCHEMBL8326043 0.80 ACHE (0.56) EPHX2
SCHEMBL13480219 0.80 ACHE (0.56) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
EP-1585728-B1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP disclosed