SCHEMBL8320651

SCHEMBL8320651

O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.62
MMP2 P08253 10/20 0.62
MMP8 P22894 4/20 0.54
MMP3 P08254 4/20 0.54
MMP12 P39900 3/20 0.54
MMP1 P03956 3/20 0.54
MMP14 P50281 2/20 0.54
CA12 O43570 2/20 0.53
CA9 Q16790 1/20 0.53
ADAM17 P78536 1/20 0.47

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
SCHEMBL8325151 0.98 MMP9 (0.62) MMP9MMP2MMP8MMP3MMP12
SCHEMBL13201342 0.91 MMP2 (0.52) MMP9MMP2MMP8MMP3MMP12
SCHEMBL16298354 0.90 MMP2 (0.49) MMP9MMP2MMP8MMP3MMP12
SCHEMBL13201330 0.90 MMP8 (0.52) MMP9MMP2MMP8MMP3MMP12
SCHEMBL13480199 0.90 MMP2 (0.49) MMP9MMP2MMP8MMP3MMP12
SCHEMBL8319435 0.88 MMP2 (0.48) MMP9MMP2MMP8MMP3MMP12
SCHEMBL8326140 0.87 PSEN1 (0.52) MMP9MMP2MMP8MMP3MMP12
SCHEMBL13201315 0.87 MMP2 (0.46) MMP9MMP2MMP3MMP12MMP1
SCHEMBL13201328 0.87 CA9 (0.52) MMP9MMP2MMP8MMP3MMP12
SCHEMBL2963202 0.86 MMP2 (0.48) MMP9MMP2MMP8MMP3MMP12

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