SCHEMBL6238030

SCHEMBL6238030

COC1CN(S(=O)(=O)c2ccc(OCc3cccc(Cl)c3)cc2)[C@H](OC(=O)NO)[C@H](C)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.53
ADAM17 P78536 13/20 0.53
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MMP13 P45452 4/20 0.46
BCL2 P10415 1/20 0.45
BID P55957 1/20 0.45
MCL1 Q07820 1/20 0.45
ADAMTS4 O75173 1/20 0.43
MMP3 P08254 1/20 0.42
MMP9 P14780 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
SCHEMBL6237169 0.87 ADAM17 (0.58) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6233609 0.87 ADAM17 (0.58) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6240112 0.86 MMP1 (0.50) MMP1ADAM17S1PR1S1PR5MMP13
SCHEMBL6240908 0.86 MMP1 (0.49) MMP1ADAM17S1PR1S1PR5MMP13
SCHEMBL6240990 0.84 MMP1 (0.57) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6238194 0.77 MMP1 (0.55) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6240212 0.76 MMP1 (0.51) MMP1ADAM17MMP13ADAMTS4MMP3
SCHEMBL6237935 0.76 MMP1 (0.52) MMP1ADAM17MMP13ADAMTS4MMP3
SCHEMBL6238727 0.76 MMP1 (0.54) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6238179 0.76 MMP1 (0.54) 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