SCHEMBL7426328

SCHEMBL7426328

COCCOc1ccc(Oc2ccc(S(=O)(=O)C(CNC(=O)O)[C@@H]3COC(C)(C)O3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.40
MMP3 P08254 9/20 0.40
MMP9 P14780 8/20 0.40
MMP1 P03956 7/20 0.40
MMP13 P45452 7/20 0.40
MMP7 P09237 4/20 0.40
MMP8 P22894 3/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GCK P35557 1/20 0.33
LIMK2 P53671 1/20 0.33
MMP14 P50281 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7421796 0.90 MMP1 (0.43) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7434867 0.89 MMP9 (0.43) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7430869 0.81 MMP2 (0.49) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7595406 0.80 MMP9 (0.47) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7595400 0.73 MMP9 (0.74) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7595412 0.73 MMP9 (0.74) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7434872 0.70 MMP9 (0.52) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7421799 0.70 MMP9 (0.52) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7595945 0.69 MMP9 (0.51) MMP2MMP3MMP9MMP1MMP13
SCHEMBL7430861 0.69 MMP2 (0.41) MMP2MMP3MMP9MMP1MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147101-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2001-10-24 EP claimed
WO-2000044739-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO claimed
EP-1147101-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2001-10-24 EP disclosed
WO-2000044739-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed