SCHEMBL6790233

SCHEMBL6790233

O=C(NO)C(CSc1ccc(O)cc1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.45
MMP13 P45452 7/20 0.45
MMP9 P14780 7/20 0.45
MMP3 P08254 5/20 0.45
MMP8 P22894 3/20 0.41
MMP1 P03956 2/20 0.41
MEP1B Q16820 1/20 0.40

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
SCHEMBL6784051 0.90 MMP2 (0.52) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6789717 0.87 MMP2 (0.51) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6790083 0.80 ALDH1A1 (0.46) MMP2MMP13MMP9MMP3MMP8
SCHEMBL7454617 0.80 ALDH1A1 (0.46) MMP2MMP13MMP9MMP3MMP8
SCHEMBL7365162 0.79 MMP2 (0.51) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6794449 0.79 MMP13 (0.50) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6796186 0.78 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6783185 0.78 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6783118 0.78 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6787862 0.77 ALDH1A1 (0.46) MMP2MMP13MMP9MMP3

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-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed