SCHEMBL7595406

SCHEMBL7595406

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.47
MMP2 P08253 10/20 0.47
MMP13 P45452 8/20 0.47
MMP1 P03956 6/20 0.47
MMP3 P08254 4/20 0.47
MMP7 P09237 2/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 3/20 0.36
ACACB O00763 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7595945 0.90 MMP9 (0.51) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7596473 0.89 MMP9 (0.51) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7425774 0.88 MMP9 (0.51) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7594377 0.85 MMP9 (0.66) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7593771 0.85 MMP9 (0.66) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7593379 0.85 MMP9 (0.54) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7594722 0.85 MMP9 (0.66) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7599171 0.85 MMP9 (0.66) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7429125 0.85 MMP9 (0.66) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7426328 0.80 MMP2 (0.40) MMP9MMP2MMP13MMP1MMP3

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-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP claimed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US claimed
EP-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed