SCHEMBL7424416

SCHEMBL7424416

COC(O)CNC(=O)C1(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4cccc(OC(F)(F)F)c4)CC3)cc2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP13 P45452 2/20 0.48
MMP14 P50281 2/20 0.48
MMP2 P08253 1/20 0.48
F10 P00742 13/20 0.45
F2 P00734 3/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CFD P00746 1/20 0.39
KLK7 P49862 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL7427210 0.92 MMP3 (0.48) MMP1MMP3MMP9MMP8MMP13
SCHEMBL7424411 0.83 MMP2 (0.49) MMP1MMP3MMP9MMP8MMP13
SCHEMBL7430791 0.80 MMP2 (0.48) MMP1MMP3MMP9MMP8MMP13
SCHEMBL6691880 0.79 MMP13 (0.77) MMP1MMP3MMP9MMP8MMP13
SCHEMBL7429534 0.78 MMP13 (0.46) MMP1MMP3MMP9MMP8MMP13
SCHEMBL7422009 0.77 MMP3 (0.69) MMP1MMP3MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL6694879 0.76 MMP3 (0.68) MMP1MMP3MMP9MMP8MMP13
SCHEMBL6621337 0.76 MMP13 (0.54) MMP3MMP13MMP2
Sulfuric Acid SCHEMBL7435751 0.76 MMP3 (0.67) MMP1MMP3MMP9MMP8MMP13
SCHEMBL7427208 0.74 MMP3 (0.50) MMP1MMP3MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed