SCHEMBL7427210

SCHEMBL7427210

COC(O)CNC(=O)C1(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)cc2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.48
MMP14 P50281 6/20 0.48
MMP8 P22894 6/20 0.48
MMP9 P14780 6/20 0.48
MMP13 P45452 5/20 0.48
MMP1 P03956 3/20 0.48
MMP2 P08253 2/20 0.48
LIPE Q05469 1/20 0.44
CHRM4 P08173 4/20 0.42
MMP10 P09238 2/20 0.42
CHRM2 P08172 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
MMP7 P09237 2/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7424416 0.92 MMP1 (0.48) MMP3MMP14MMP8MMP9MMP13
SCHEMBL7422009 0.82 MMP3 (0.69) MMP3MMP14MMP8MMP9MMP13
SCHEMBL7427208 0.82 MMP3 (0.50) MMP3MMP14MMP8MMP9MMP13
Hydrochloric Acid SCHEMBL6694879 0.82 MMP3 (0.68) MMP3MMP14MMP8MMP9MMP13
SCHEMBL7430791 0.81 MMP2 (0.48) MMP3MMP14MMP8MMP9MMP13
Sulfuric Acid SCHEMBL7435751 0.81 MMP3 (0.67) MMP3MMP14MMP8MMP9MMP13
SCHEMBL7429534 0.79 MMP13 (0.46) MMP3MMP14MMP8MMP9MMP13
SCHEMBL6621337 0.78 MMP13 (0.54) MMP3MMP13MMP2
SCHEMBL6685529 0.78 MMP13 (0.79) MMP3MMP14MMP8MMP9MMP13
SCHEMBL6395000 0.74 MMP13 (0.45) MMP3MMP14MMP8MMP9MMP13

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