SCHEMBL7248189

SCHEMBL7248189

CC(C)C(NS(=O)(=O)c1ccc2oc3cc(-c4ccccc4)ccc3c2c1)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 0.61
MMP13 P45452 11/20 0.61
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53
MMP14 P50281 1/20 0.53

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
SCHEMBL6340424 0.87 MMP12 (0.80) MMP12MMP13
SCHEMBL3072855 0.86 MMP12 (0.56) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3072856 0.86 MMP12 (0.56) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010044 0.86 MMP12 (0.66) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4011261 0.86 MMP12 (0.66) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010042 0.86 MMP12 (0.66) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3080871 0.84 MMP12 (0.66) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3086481 0.84 MMP12 (0.58) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3086479 0.84 MMP12 (0.58) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3081334 0.84 MMP12 (0.61) MMP12MMP13MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624177-B1 Treating diseases in which matrix melatoproteinases are involved such as multiple sclerosis, atherosclerotic plaque rupture, restenosis, aortic aneurism, heart failure, periodontal disease, corneal ulceration, burns, decubital WARNER-LAMBERT COMPANY 2003-09-23 US disclosed