SCHEMBL7903646

SCHEMBL7903646

COc1ccc(-c2ccc(S(=O)(=O)C(N)(CC#Cc3cccn3C)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.41
MMP2 P08253 12/20 0.41
MMP1 P03956 9/20 0.41
MMP3 P08254 8/20 0.41
MMP9 P14780 7/20 0.40
MMP8 P22894 3/20 0.39
MMP12 P39900 2/20 0.38
MMP14 P50281 2/20 0.38
MMP16 P51512 2/20 0.38
MEP1B Q16820 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL7516820 0.84 MMP13 (0.54) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7555235 0.82 MMP13 (0.56) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7509669 0.81 MMP13 (0.41) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7899733 0.81 MMP13 (0.43) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7513444 0.80 MMP13 (0.41) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7502927 0.80 MMP13 (0.53) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7516549 0.78 MMP1 (0.49) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7508946 0.78 ALDH1A1 (0.45) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7903544 0.77 MMP13 (0.57) MMP13MMP2MMP1MMP3MMP9
SCHEMBL7502278 0.76 MMP13 (0.55) MMP13MMP2MMP1MMP3MMP9

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