SCHEMBL8326181

SCHEMBL8326181

O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.52
MMP3 P08254 1/20 0.52
EPHX2 P34913 1/20 0.47
TRPA1 O75762 4/20 0.47
MMP1 P03956 1/20 0.46
ADAM17 P78536 1/20 0.46
GAA P10253 1/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
BRD4 O60885 2/20 0.44
MMP12 P39900 1/20 0.44
TRPV4 Q9HBA0 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL8319548 0.89 ACHE (0.53) EPHX2GAAMMP2MMP9MMP12
SCHEMBL13479959 0.89 ACHE (0.53) EPHX2GAAMMP2MMP9MMP12
SCHEMBL8327339 0.87 EPHX2 (0.45) MMP8MMP3EPHX2TRPA1GAA
SCHEMBL13201315 0.86 MMP2 (0.46) MMP3EPHX2MMP1MMP2MMP9
SCHEMBL8319091 0.85 MMP9 (0.46) MMP8MMP3MMP1ADAM17MMP2
SCHEMBL2963202 0.85 MMP2 (0.48) MMP8MMP3EPHX2MMP1ADAM17
SCHEMBL13201339 0.85 MMP2 (0.46) MMP8MMP3MMP1ADAM17GAA
SCHEMBL8324756 0.85 MMP2 (0.46) MMP8MMP3TRPA1MMP1ADAM17
SCHEMBL8324754 0.85 MMP2 (0.48) MMP8MMP3EPHX2MMP1ADAM17
SCHEMBL8320651 0.83 MMP9 (0.62) MMP8MMP3MMP1ADAM17MMP2

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
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed