SCHEMBL7313624

SCHEMBL7313624

CC(C)(C)ONC(=O)CC1(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCN(CC2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.41
MMP9 P14780 10/20 0.41
MMP13 P45452 9/20 0.41
ADAM17 P78536 2/20 0.41
MMP14 P50281 7/20 0.40
MMP3 P08254 5/20 0.40
MMP8 P22894 4/20 0.40
MMP2 P08253 4/20 0.40
KDM2B Q8NHM5 1/20 0.39
S1PR2 O95136 1/20 0.38
MMP7 P09237 3/20 0.38
MMP10 P09238 1/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7308944 0.92 MMP1 (0.51) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7301752 0.91 MMP1 (0.52) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7302735 0.88 MMP1 (0.54) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7307266 0.85 MMP1 (0.49) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7349344 0.82 MMP1 (0.61) MMP1MMP9MMP13MMP14MMP3
SCHEMBL7299039 0.82 MMP1 (0.46) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7301052 0.81 MMP1 (0.54) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7299271 0.79 MMP1 (0.66) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7302817 0.79 MMP1 (0.67) MMP1MMP9MMP13ADAM17MMP14
SCHEMBL7311787 0.78 MMP1 (0.56) MMP1MMP9MMP13ADAM17MMP14

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