SCHEMBL7539103

SCHEMBL7539103

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.65
MMP9 P14780 20/20 0.65
MMP1 P03956 6/20 0.65

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
SCHEMBL7539094 1.00 MMP2 (0.65) MMP2MMP9MMP1
SCHEMBL10021363 0.88 MMP9 (0.74) MMP2MMP9MMP1
SCHEMBL7363727 0.87 MMP2 (0.48) MMP2MMP9MMP1
SCHEMBL7360556 0.86 MMP2 (0.54) MMP2MMP9MMP1
SCHEMBL7360562 0.86 MMP2 (0.54) MMP2MMP9MMP1
SCHEMBL8001929 0.80 MMP9 (0.71) MMP2MMP9MMP1
SCHEMBL7673474 0.79 MMP2 (1.00) MMP2MMP9MMP1
SCHEMBL7673693 0.79 MMP2 (0.83) MMP2MMP9MMP1
SCHEMBL7673543 0.78 MMP2 (0.90) MMP2MMP9MMP1
SCHEMBL7671031 0.78 MMP2 (1.00) MMP2MMP9MMP1

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
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed