SCHEMBL7539100

SCHEMBL7539100

CC(CCS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.50
ADAM17 P78536 1/20 0.50
TP53 P04637 1/20 0.49
MMP14 P50281 6/20 0.48
MMP8 P22894 4/20 0.48
MMP9 P14780 11/20 0.48
MMP1 P03956 9/20 0.47
MMP13 P45452 6/20 0.47
MMP3 P08254 3/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7360559 0.85 MMP13 (0.62) MMP2ADAM17MMP14MMP8MMP9
SCHEMBL7998659 0.77 MMP2 (0.57) MMP2MMP9MMP1MMP13
SCHEMBL8002344 0.76 MMP2 (0.51) MMP2MMP8MMP9MMP1MMP13
SCHEMBL8002779 0.76 MMP2 (0.51) MMP2ADAM17MMP9MMP1MMP13
SCHEMBL7539103 0.76 MMP2 (0.65) MMP2MMP9MMP1
SCHEMBL7539094 0.76 MMP2 (0.65) MMP2MMP9MMP1
SCHEMBL7998743 0.74 MMP2 (0.49) MMP2ADAM17MMP14MMP8MMP9
SCHEMBL7990368 0.73 MMP9 (0.54) MMP2MMP14MMP8MMP9MMP1
SCHEMBL8002263 0.73 MMP9 (0.55) MMP2MMP14MMP8MMP9MMP1
SCHEMBL6740661 0.73 TP53 (0.47) MMP2TP53MMP9MMP1MMP13

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