SCHEMBL7595418

SCHEMBL7595418

[O][C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@@H]1COCO1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.51
MMP2 P08253 18/20 0.51
MMP1 P03956 8/20 0.51
MMP14 P50281 1/20 0.50
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL7595425 0.88 MMP9 (0.52) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7593368 0.83 MMP9 (0.48) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7593371 0.82 MMP9 (0.74) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7593365 0.82 MMP9 (0.74) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7600745 0.80 MMP9 (0.71) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7599342 0.80 MMP9 (0.70) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7599558 0.80 MMP9 (0.70) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7595716 0.80 MMP9 (0.70) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7595608 0.80 MMP9 (0.70) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7599807 0.71 MMP9 (0.73) 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