SCHEMBL8206472

SCHEMBL8206472

COc1ccc(S(=O)(=O)N2CCCC2C=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
MMP1 P03956 3/20 0.53
MMP3 P08254 3/20 0.53
MMP7 P09237 2/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53
HCRTR1 O43613 7/20 0.53
HCRTR2 O43614 7/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL8211439 1.00 LMNA (0.55) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8206912 0.96 MMP1 (0.58) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8207819 0.84 MMP1 (0.59) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8207084 0.83 MMP1 (0.58) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8212961 0.80 TSHR (0.58) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8211642 0.77 MMP2 (0.47) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8209735 0.77 MMP1 (0.55) MMP1MMP3MMP7MMP9MMP13
SCHEMBL8206916 0.77 MMP1 (0.64) LMNAMMP1MMP3MMP7MMP9
SCHEMBL8199984 0.77 MMP1 (0.60) LMNAMMP1MMP3MMP7MMP9
SCHEMBL2705855 0.77 MMP1 (0.67) MMP1MMP3MMP7MMP9MMP13

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