SCHEMBL7998743

SCHEMBL7998743

CC(C)Cc1ccc([C@@H](C)[C@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)C(=O)NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.49
MMP9 P14780 14/20 0.49
MMP1 P03956 6/20 0.45
MMP13 P45452 4/20 0.44
MMP14 P50281 3/20 0.44
MMP8 P22894 2/20 0.44
ADAM17 P78536 2/20 0.43
MMP3 P08254 1/20 0.43
CHRM1 P11229 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL7998659 0.88 MMP2 (0.57) MMP2MMP9MMP1MMP13
SCHEMBL7998740 0.79 MMP9 (0.68) MMP2MMP9MMP1
SCHEMBL7998746 0.79 MMP9 (0.68) MMP2MMP9MMP1
SCHEMBL7539100 0.74 MMP2 (0.50) MMP2MMP9MMP1MMP13MMP14
SCHEMBL8002779 0.74 MMP2 (0.51) MMP2MMP9MMP1MMP13ADAM17
SCHEMBL7990368 0.73 MMP9 (0.54) MMP2MMP9MMP1MMP13MMP14
SCHEMBL8002344 0.72 MMP2 (0.51) MMP2MMP9MMP1MMP13MMP8
SCHEMBL21649299 0.71 MMP2 (0.55) MMP2MMP9MMP1MMP13MMP14
SCHEMBL7998783 0.71 MMP9 (0.54) MMP2MMP9MMP1MMP13MMP14
SCHEMBL7990015 0.70 MMP2 (0.64) MMP2MMP9MMP1MMP13MMP14

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