SCHEMBL8002828

SCHEMBL8002828

CC(C)(C)ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.57
MMP9 P14780 7/20 0.57
MMP8 P22894 6/20 0.57
MMP3 P08254 6/20 0.55
MMP1 P03956 6/20 0.55
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 2/20 0.43
CTRC Q99895 1/20 0.43
ADAMTS4 O75173 2/20 0.43
MMP13 P45452 2/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL7074188 0.93 MMP2 (0.52) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7073432 0.91 MMP2 (0.60) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7080932 0.88 MMP2 (0.57) MMP2MMP9MMP8MMP3MMP1
SCHEMBL8013554 0.88 MMP2 (0.74) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7077830 0.85 MMP2 (0.69) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7079276 0.84 MMP2 (0.52) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7297379 0.78 MMP13 (0.53) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7079905 0.78 MMP2 (0.59) MMP2MMP9MMP8MMP3MMP1
SCHEMBL6379618 0.77 MMP2 (0.50) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7422537 0.76 MMP2 (0.56) MMP2MMP9MMP8MMP3MMP1

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-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed