SCHEMBL7989893

SCHEMBL7989893

CC(C)(C)C(=O)N1CCN(CC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)NC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.46
MMP9 P14780 19/20 0.46
MMP1 P03956 10/20 0.46
MMP14 P50281 3/20 0.42
MMP8 P22894 2/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL8002839 0.83 MMP9 (0.53) MMP2MMP9MMP1MMP14MMP8
SCHEMBL7989891 0.80 MMP2 (0.65) MMP2MMP9MMP1
SCHEMBL8000426 0.77 MMP2 (0.44) MMP2MMP9MMP1MMP14MMP3
SCHEMBL8001932 0.76 MMP2 (0.52) MMP2MMP9MMP1MMP14MMP13
SCHEMBL7990313 0.73 MMP9 (0.52) MMP2MMP9MMP1MMP14MMP8
SCHEMBL8005439 0.72 MMP9 (0.50) MMP2MMP9MMP1MMP14
SCHEMBL8002502 0.72 MMP9 (0.46) MMP2MMP9MMP1MMP14
SCHEMBL7998634 0.72 MMP9 (0.46) MMP2MMP9MMP1MMP14MMP13
SCHEMBL7990265 0.72 MMP2 (0.50) MMP2MMP9MMP1MMP14MMP13
SCHEMBL8000893 0.72 MMP9 (0.59) MMP2MMP9MMP1MMP14MMP8

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