SCHEMBL8207986

SCHEMBL8207986

CCCCOc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.53
MMP1 P03956 13/20 0.53
MMP7 P09237 14/20 0.51
MMP13 P45452 9/20 0.51
MMP2 P08253 6/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 2/20 0.47

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
SCHEMBL8211350 0.85 MMP3 (0.57) MMP3MMP1MMP7MMP13MMP2
SCHEMBL8199903 0.82 MMP1 (0.61) MMP3MMP1MMP7MMP13MMP2
SCHEMBL8199899 0.82 MMP1 (0.61) MMP3MMP1MMP7MMP13MMP2
SCHEMBL9865528 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1
SCHEMBL9380136 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1
SCHEMBL9211270 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1
SCHEMBL9684628 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1
SCHEMBL2389473 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1
SCHEMBL2389980 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1
SCHEMBL9685672 0.81 MCOLN3 (0.50) MMP1MMP13MMP2L3MBTL1

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