SCHEMBL7307266

SCHEMBL7307266

CC(=O)N1CCC(CC(=O)NOC(C)(C)C)(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.49
MMP3 P08254 2/20 0.49
MMP13 P45452 2/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
RORC P51449 11/20 0.45
MMP10 P09238 1/20 0.44
NR1I2 O75469 2/20 0.43
S1PR2 O95136 4/20 0.42
ADAM17 P78536 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
SCHEMBL7304996 0.88 MMP1 (0.57) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7313624 0.85 MMP1 (0.41) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7349344 0.85 MMP1 (0.61) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7299039 0.85 MMP1 (0.46) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7311787 0.81 MMP1 (0.56) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7301052 0.80 MMP1 (0.54) MMP1MMP3MMP13MMP2MMP9
SCHEMBL8521085 0.79 MMP1 (0.53) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7311728 0.78 MMP1 (0.50) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7307395 0.78 MMP1 (0.59) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7303375 0.78 MMP1 (0.59) MMP1MMP3MMP13MMP2MMP9

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
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed