SCHEMBL8000154

SCHEMBL8000154

COc1ccc(-c2ccc(OC[C@H](CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.85
MMP1 P03956 10/20 0.85
MMP3 P08254 6/20 0.80
MMP9 P14780 3/20 0.79
ALDH1A1 P00352 1/20 0.63
MAPK1 P28482 1/20 0.63

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
SCHEMBL7998644 0.92 MMP2 (0.85) MMP2MMP1MMP3MMP9
SCHEMBL7505271 0.92 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7503635 0.91 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7501644 0.90 MMP2 (0.96) MMP2MMP1MMP3MMP9
SCHEMBL7504624 0.90 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7507791 0.89 MMP2 (0.80) MMP2MMP1MMP3MMP9
SCHEMBL7501269 0.89 MMP2 (1.00) MMP2MMP1MMP3MMP9ALDH1A1
SCHEMBL7509124 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7508422 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7504651 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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