SCHEMBL7928475

SCHEMBL7928475

CC(C)(C)OC(=O)ON(C(=O)O)[C@@H](CO)CC(C(C)(C)C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.43
MMP2 P08253 9/20 0.39
MMP1 P03956 8/20 0.39
MMP9 P14780 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL7928474 0.77 MMP13 (0.51) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7922816 0.75 MMP13 (0.48) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7928380 0.73 MMP13 (0.43) MMP13MMP2MMP1MMP9MMP3
SCHEMBL6719195 0.64 LMNA (0.62) MMP13MMP2MMP1MMP9MMP3
SCHEMBL1133773 0.63 LMNA (0.59) MMP13MMP2MMP1MMP9MMP3
SCHEMBL6267856 0.62 MMP13 (0.56) MMP13MMP2MMP1MMP9MMP3
SCHEMBL9351423 0.62 ALOX5 (0.44) MMP13MMP2MMP9
SCHEMBL28121991 0.62 HSD11B1 (0.41) MMP13MMP1
SCHEMBL569675 0.61 LMNA (0.56) MMP13MMP2MMP1MMP9MMP3
SCHEMBL12895710 0.60 SOS1 (0.58) MMP13MMP2MMP1MMP9MMP3

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