SCHEMBL6239476

SCHEMBL6239476

Cc1ncccc1COc1ccc(S(=O)(=O)N2C[C@H](C)OC(C)(C)[C@H]2OC(=O)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.59
ADAM17 P78536 16/20 0.59
MMP13 P45452 7/20 0.55

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
SCHEMBL6240147 0.87 ADAM17 (0.72) MMP1ADAM17MMP13
SCHEMBL7072312 0.87 ADAM17 (0.72) MMP1ADAM17MMP13
SCHEMBL6237873 0.85 ADAM17 (0.61) MMP1ADAM17MMP13
SCHEMBL6245036 0.85 MMP1 (0.57) MMP1ADAM17MMP13
SCHEMBL6240294 0.85 MMP1 (0.53) MMP1ADAM17MMP13
SCHEMBL6241443 0.84 ADAM17 (0.56) MMP1ADAM17MMP13
SCHEMBL6239380 0.82 MMP1 (0.58) MMP1ADAM17MMP13
SCHEMBL6237689 0.79 ADAM17 (0.67) MMP1ADAM17MMP13
SCHEMBL7135335 0.79 ADAM17 (0.67) MMP1ADAM17MMP13
SCHEMBL6238209 0.76 MMP1 (0.71) MMP1ADAM17MMP13

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