SCHEMBL7599651

SCHEMBL7599651

NC(=O)[C@](O)(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.52
MMP2 P08253 15/20 0.52
MMP1 P03956 8/20 0.52
MMP14 P50281 2/20 0.46
CXCR4 P61073 1/20 0.41
MMP3 P08254 2/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7600044 1.00 MMP9 (0.52) MMP9MMP2MMP1MMP14CXCR4
SCHEMBL7599808 0.78 MMP9 (0.55) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7603274 0.77 MMP9 (0.47) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7600749 0.75 MMP9 (0.43) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7435170 0.71 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7598896 0.71 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7435168 0.68 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7598893 0.68 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP8
SCHEMBL8005756 0.65 MMP2 (0.50) MMP9MMP2MMP1MMP14MMP3
SCHEMBL4696395 0.65 MMP9 (0.43) MMP9MMP2MMP1MMP14MMP3

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