SCHEMBL7308080

SCHEMBL7308080

CC(C)(C)ONC(=O)CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.75
MMP13 P45452 13/20 0.54
MMP2 P08253 11/20 0.54
MMP3 P08254 9/20 0.54
MMP9 P14780 9/20 0.54
MMP8 P22894 9/20 0.54
MMP14 P50281 11/20 0.49
MMP7 P09237 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7349344 0.91 MMP1 (0.61) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7302785 0.91 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7303375 0.89 MMP1 (0.59) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7311787 0.87 MMP1 (0.56) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7307897 0.86 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301052 0.85 MMP1 (0.54) MMP1MMP13MMP2MMP3MMP9
SCHEMBL8521085 0.84 MMP1 (0.53) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7312641 0.82 MMP1 (0.52) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7308944 0.82 MMP1 (0.51) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7311728 0.81 MMP1 (0.50) MMP1MMP13MMP2MMP3MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed