SCHEMBL6794468

SCHEMBL6794468

O=C(O)C(CSc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.47
MMP9 P14780 8/20 0.47
MMP3 P08254 7/20 0.47
MMP13 P45452 6/20 0.47
MMP1 P03956 5/20 0.47
MMP8 P22894 3/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MMP14 P50281 3/20 0.41
MMP12 P39900 2/20 0.41
MMP7 P09237 2/20 0.41
HSD11B1 P28845 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL6794449 0.88 MMP13 (0.50) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6796186 0.88 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783185 0.88 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6783118 0.88 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP1
SCHEMBL19506062 0.87 MMP13 (0.46) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6788239 0.84 MMP3 (0.46) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6787522 0.78 MMP2 (0.54) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6789717 0.78 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6794038 0.78 BCL2L1 (0.47) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6790742 0.77 KMT2A (0.53) MMP2MMP9MMP3MMP1MMP8

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