SCHEMBL6238727

SCHEMBL6238727

C[C@H]1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H](OC(=O)NO)[C@@H](C)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.54
ADAM17 P78536 11/20 0.54
MMP13 P45452 3/20 0.54
MMP8 P22894 4/20 0.51
MMP3 P08254 4/20 0.51
MMP9 P14780 3/20 0.46
MMP2 P08253 1/20 0.46
MMP14 P50281 1/20 0.46

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
SCHEMBL6238179 1.00 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6241133 1.00 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238194 0.92 MMP1 (0.55) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240359 0.91 MMP1 (0.53) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238983 0.91 MMP1 (0.53) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6237935 0.89 MMP1 (0.52) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6235547 0.89 MMP1 (0.51) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6242757 0.87 MMP1 (0.59) MMP1ADAM17MMP13
SCHEMBL6233856 0.87 ADAM17 (0.43) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL6239622 0.85 MMP1 (0.65) MMP1ADAM17MMP13MMP8MMP3

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