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SCHEMBL7183683

SCHEMBL7183683

CC(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 14/20 0.79
▸ MMP2 P08253 2/20 0.50
▸ MMP1 P03956 2/20 0.50
▸ MMP3 P08254 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MTNR1A P48039 3/20 0.43
▸ MTNR1B P49286 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 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
SCHEMBL7183687 1.00 MMP13 (0.79) MMP13MMP2MMP1MMP3MMP8
SCHEMBL7186097 0.88 MMP13 (1.00) MMP13MMP2MMP1MMP3MMP8
SCHEMBL5125706 0.87 MMP13 (0.59) MMP13ALDH1A1
SCHEMBL5125714 0.87 MMP13 (0.59) MMP13ALDH1A1
SCHEMBL7181905 0.84 MMP13 (0.58) MMP13MMP2MMP1MMP3MMP8
SCHEMBL7181907 0.84 MMP13 (0.58) MMP13MMP2MMP1MMP3MMP8
SCHEMBL7185986 0.82 MMP13 (0.82) MMP13
SCHEMBL7185980 0.82 MMP13 (0.82) MMP13
SCHEMBL7181809 0.81 MMP13 (0.79) MMP13MMP2MMP1MMP3ALDH1A1
SCHEMBL7181803 0.81 MMP13 (0.79) MMP13MMP2MMP1MMP3ALDH1A1

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-6583299-B1 Matrix metalloprotease inhibitors; nonsuppression of tumor necrosis factor production G.D. SEARLE & CO. 2003-06-24 — — US disclosed