SCHEMBL7425849

SCHEMBL7425849

CC(=O)N(O)C(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.67
MMP14 P50281 11/20 0.67
MMP9 P14780 10/20 0.67
MMP1 P03956 9/20 0.67
MMP8 P22894 8/20 0.67
MMP13 P45452 8/20 0.67
MMP10 P09238 7/20 0.58
KCNH2 Q12809 3/20 0.58
MMP2 P08253 3/20 0.53
ADAM17 P78536 1/20 0.48
MMP7 P09237 2/20 0.47

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
Hydrochloric Acid SCHEMBL7432242 0.84 MMP3 (0.63) MMP3MMP14MMP9MMP1MMP8
Hydrochloric Acid SCHEMBL6899527 0.84 MMP3 (0.65) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7422005 0.83 MMP3 (0.62) MMP3MMP14MMP9MMP1MMP8
Hydrochloric Acid SCHEMBL6694876 0.82 MMP3 (0.61) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7396792 0.82 MMP3 (0.76) MMP3MMP14MMP9MMP1MMP8
Sulfuric Acid SCHEMBL7435746 0.82 MMP3 (0.60) MMP3MMP14MMP9MMP1MMP8
Hydrochloric Acid SCHEMBL7429978 0.81 MMP3 (0.59) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7431421 0.80 MMP3 (0.58) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7430094 0.79 MMP3 (0.54) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7428734 0.78 MMP3 (0.58) MMP3MMP14MMP9MMP1MMP8

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