SCHEMBL6239466

SCHEMBL6239466

C[C@@H]1SCCN(S(=O)(=O)c2ccc(OCc3cc(F)cc(F)c3)cc2)[C@H]1OC(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.57
ADAM17 P78536 12/20 0.57
MMP13 P45452 4/20 0.57
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
MMP8 P22894 2/20 0.43
MMP3 P08254 1/20 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
SCHEMBL6240405 0.92 MMP1 (0.56) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL6237788 0.86 MMP1 (0.71) MMP1ADAM17MMP13
SCHEMBL6241058 0.86 MMP1 (0.71) MMP1ADAM17MMP13
SCHEMBL6383423 0.83 MMP1 (0.59) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL6240347 0.83 MMP1 (0.59) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL6238194 0.81 MMP1 (0.55) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL6240997 0.78 MMP1 (0.63) MMP1ADAM17MMP13MMP2MMP9
SCHEMBL6238225 0.78 MMP1 (0.70) MMP1ADAM17MMP13MMP9MMP8
SCHEMBL6237846 0.78 MMP1 (0.70) MMP1ADAM17MMP13MMP9MMP8
SCHEMBL6439947 0.75 ADAM17 (0.54) MMP1ADAM17MMP13MMP2MMP9

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