SCHEMBL7899733

SCHEMBL7899733

COc1ccc(-c2ccc(S(=O)(=O)C(N)(CC#CCO)C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.43
MMP1 P03956 8/20 0.43
MMP9 P14780 8/20 0.43
MMP2 P08253 7/20 0.41
MMP3 P08254 6/20 0.41
MMP8 P22894 3/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40
MEP1B Q16820 1/20 0.40
MMP7 P09237 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NTSR1 P30989 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7502927 0.89 MMP13 (0.53) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7555235 0.87 MMP13 (0.56) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7508946 0.85 ALDH1A1 (0.45) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7516820 0.85 MMP13 (0.54) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7901571 0.85 MMP13 (0.59) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7898392 0.83 MMP1 (0.42) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7509339 0.82 MMP13 (0.61) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7509669 0.82 MMP13 (0.41) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7513444 0.81 MMP13 (0.41) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7903646 0.81 MMP13 (0.41) MMP13MMP1MMP9MMP2MMP3

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-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed