SCHEMBL8206916

SCHEMBL8206916

COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=S)C=S)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.64
MMP3 P08254 5/20 0.64
MMP7 P09237 4/20 0.64
MMP13 P45452 4/20 0.64
HCRTR1 O43613 7/20 0.55
HCRTR2 O43614 7/20 0.55
CYP3A4 P08684 1/20 0.53
FKBP1A P62942 2/20 0.53
MMP9 P14780 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL3717921 0.82 MMP1 (0.73) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL3717923 0.82 MMP1 (0.73) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL6976105 0.81 MMP1 (0.76) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL8209517 0.81 MMP1 (0.76) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL8206912 0.81 MMP1 (0.58) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL7763139 0.79 MMP1 (0.98) MMP1MMP3MMP7MMP13MMP9
SCHEMBL8207084 0.79 MMP1 (0.58) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL2705860 0.78 MMP1 (0.67) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL2706480 0.78 MMP1 (0.67) MMP1MMP3MMP7MMP13HCRTR1
SCHEMBL2705855 0.78 MMP1 (0.67) MMP1MMP3MMP7MMP13HCRTR1

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