SCHEMBL8199772

SCHEMBL8199772

CCCCOc1ccc(S(=O)(=O)N2CC(S)CC2CS)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MMP3 P08254 13/20 0.52
MMP1 P03956 13/20 0.52
MMP7 P09237 12/20 0.49
MMP13 P45452 10/20 0.49
MMP2 P08253 5/20 0.49
MMP9 P14780 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MMP8 P22894 2/20 0.45
ADAM17 P78536 1/20 0.44

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
SCHEMBL8211644 0.86 HSD11B1 (0.52) MMP3MMP1MMP7MMP13MMP2
SCHEMBL8212965 0.80 TSHR (0.60) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL8207986 0.77 MMP3 (0.53) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL7141901 0.76 TSHR (0.58) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL7141897 0.76 TSHR (0.58) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL8238782 0.73 MMP1 (0.49) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL8238780 0.73 MMP1 (0.49) TSHRMAPK1RECQLL3MBTL1MMP3
SCHEMBL5723530 0.72 MMP1 (0.58) MMP3MMP1MMP7MMP13MMP2
SCHEMBL7142447 0.72 MMP3 (0.51) MMP3MMP1MMP7MMP13MMP2
SCHEMBL23630430 0.72 MMP3 (0.64) MMP3MMP1MMP7MMP13MMP2

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-6121272-A Bidentate metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed