SCHEMBL8212965

SCHEMBL8212965

CCCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CS)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
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
TP53 P04637 1/20 0.52
BDKRB1 P46663 1/20 0.49
MMP1 P03956 7/20 0.49
MMP3 P08254 6/20 0.49
MMP13 P45452 5/20 0.49
MMP2 P08253 3/20 0.49
MMP7 P09237 4/20 0.48
MMP9 P14780 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL8210424 0.88 TSHR (0.60) TSHRMAPK1RECQLL3MBTL1PSEN1
SCHEMBL8206915 0.85 MMP1 (0.58) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL8199038 0.82 TSHR (0.53) TSHRMAPK1RECQLL3MBTL1PSEN1
SCHEMBL6323512 0.81 RAB9A (0.56) MMP1MMP3MMP13MMP7MMP9
SCHEMBL8211440 0.81 RAB9A (0.56) MMP1MMP3MMP13MMP7MMP9
SCHEMBL8198983 0.81 ALDH1A1 (0.62) TSHRMAPK1RECQLL3MBTL1MMP1
SCHEMBL8212961 0.80 TSHR (0.58) TSHRMAPK1RECQLL3MBTL1PSEN1
SCHEMBL8199772 0.80 TSHR (0.54) TSHRMAPK1RECQLL3MBTL1MMP1
SCHEMBL31086998 0.78 MMP3 (0.72) MMP1MMP3MMP13MMP2MMP7
SCHEMBL31086918 0.77 L3MBTL1 (0.62) TSHRMAPK1RECQLL3MBTL1MMP1

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