SCHEMBL6237935

SCHEMBL6237935

C[C@@H]1O[C@@H](C)CN(S(=O)(=O)c2ccc(OCc3ccncc3)cc2)[C@@H]1OC(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.52
ADAM17 P78536 15/20 0.52
MMP13 P45452 6/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL6240212 0.90 MMP1 (0.51) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6241133 0.89 MMP1 (0.54) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6238179 0.89 MMP1 (0.54) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6238727 0.89 MMP1 (0.54) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6238194 0.87 MMP1 (0.55) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6233856 0.87 ADAM17 (0.43) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6239672 0.86 ADAM17 (0.44) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6234233 0.85 ADAM17 (0.58) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6241443 0.85 ADAM17 (0.56) MMP1ADAM17MMP13
SCHEMBL6240990 0.85 MMP1 (0.57) MMP1ADAM17MMP13MMP3MMP9

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