SCHEMBL7922816

SCHEMBL7922816

CC(CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N(OC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.48
MMP2 P08253 10/20 0.47
MMP3 P08254 3/20 0.47
MMP9 P14780 3/20 0.47
MMP14 P50281 2/20 0.47
MMP1 P03956 10/20 0.47
MMP8 P22894 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7928380 0.83 MMP13 (0.43) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7928474 0.82 MMP13 (0.51) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7360562 0.76 MMP2 (0.54) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7360556 0.76 MMP2 (0.54) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7928475 0.75 MMP13 (0.43) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7924711 0.74 MMP2 (0.63) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7922815 0.70 MMP1 (0.59) MMP13MMP2MMP3MMP9MMP14
SCHEMBL7360559 0.70 MMP13 (0.62) MMP13MMP2MMP3MMP9MMP14
SCHEMBL9351423 0.67 ALOX5 (0.44) MMP13MMP2MMP9
SCHEMBL1133772 0.67 MMP13 (0.56) MMP13MMP2MMP9MMP14MMP1

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-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed