SCHEMBL7768744

SCHEMBL7768744

Cc1ncccc1COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.56
MMP1 P03956 15/20 0.56
MMP13 P45452 9/20 0.56
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43

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
SCHEMBL6235053 1.00 ADAM17 (0.56) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL7135335 0.90 ADAM17 (0.67) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL6237689 0.90 ADAM17 (0.67) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL6244941 0.90 ADAM17 (0.59) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL6236221 0.85 ADAM17 (0.51) ADAM17MMP1MMP13
SCHEMBL6241443 0.85 ADAM17 (0.56) ADAM17MMP1MMP13
SCHEMBL7068818 0.84 ADAM17 (0.49) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL6240560 0.84 ADAM17 (0.49) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL7068813 0.84 ADAM17 (0.49) ADAM17MMP1MMP13MMP3MMP9
SCHEMBL6237728 0.83 ADAM17 (0.50) ADAM17MMP1MMP13

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-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed