SCHEMBL7599808

SCHEMBL7599808

CS(=O)(=O)N1CCC[C@@H]1[C@@](O)(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.55
MMP2 P08253 10/20 0.55
MMP1 P03956 7/20 0.55
MMP14 P50281 5/20 0.43
MMP13 P45452 5/20 0.40
MMP3 P08254 3/20 0.40
MMP8 P22894 3/20 0.40
MMP7 P09237 1/20 0.40
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL7426236 0.79 MMP9 (0.68) MMP9MMP2MMP1MMP14
SCHEMBL7600749 0.79 MMP9 (0.43) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7600044 0.78 MMP9 (0.52) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7599651 0.78 MMP9 (0.52) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7999031 0.73 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7598899 0.73 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7603274 0.72 MMP9 (0.47) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7426245 0.72 MMP9 (0.70) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7598904 0.71 MMP9 (1.00) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7999034 0.71 MMP9 (1.00) MMP9MMP2MMP1MMP13MMP3

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-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP claimed