SCHEMBL6239672

SCHEMBL6239672

C[C@@H]1O[C@@H](C)CN(S(=O)(=O)c2ccc(OCc3ccccn3)cc2)[C@@H]1OC(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP1 P03956 12/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 7/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6241443 0.87 ADAM17 (0.56) ADAM17MMP1MMP13
SCHEMBL6236813 0.86 ADAM17 (0.59) ADAM17MMP1MMP13
SCHEMBL6240106 0.86 ADAM17 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6237935 0.86 MMP1 (0.52) ADAM17ADAMTS4MMP1MMP3MMP9
SCHEMBL6240212 0.85 MMP1 (0.51) ADAM17ADAMTS4MMP1MMP3MMP9
SCHEMBL6241133 0.82 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6238727 0.82 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6238179 0.82 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6240990 0.82 MMP1 (0.57) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6233856 0.82 ADAM17 (0.43) ADAM17MMP1MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP claimed