SCHEMBL8206915

SCHEMBL8206915

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.58
MMP3 P08254 3/20 0.58
MMP7 P09237 2/20 0.58
MMP13 P45452 1/20 0.58
PSEN1 P49768 2/20 0.55
PSEN2 P49810 2/20 0.55
APH1B Q8WW43 2/20 0.55
NCSTN Q92542 2/20 0.55
APH1A Q96BI3 2/20 0.55
PSENEN Q9NZ42 2/20 0.55
NPC1 O15118 2/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PAX8 Q06710 1/20 0.53
MMP9 P14780 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL8211440 0.96 RAB9A (0.56) MMP1MMP3MMP7MMP13NPC1
SCHEMBL6323512 0.96 RAB9A (0.56) MMP1MMP3MMP7MMP13NPC1
SCHEMBL13037004 0.88 PSEN1 (0.71) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL8207295 0.87 MMP1 (0.61) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL6977510 0.86 MMP1 (0.63) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL8212965 0.85 TSHR (0.60) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL12162069 0.85 NPC1 (0.60) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL8210383 0.85 MMP1 (0.56) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL8209735 0.84 MMP1 (0.55) MMP1MMP3MMP7MMP13PSEN1
SCHEMBL6325815 0.83 RAB9A (0.59) MMP1MMP3MMP7MMP13HTT

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