SCHEMBL6239527

SCHEMBL6239527

C[C@@H]1O[C@@H](C)CN(S(=O)(=O)c2ccc(OCc3ccoc3)cc2)[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.46
MMP1 P03956 11/20 0.46
MMP3 P08254 4/20 0.46
MMP9 P14780 4/20 0.46
MMP13 P45452 6/20 0.42
PTGDR Q13258 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6237324 0.90 ADAM17 (0.55) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL7130071 0.90 ADAM17 (0.55) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL7765006 0.85 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6237732 0.85 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6240560 0.85 ADAM17 (0.49) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6236919 0.85 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6241314 0.85 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL7068813 0.85 ADAM17 (0.49) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL7068818 0.85 ADAM17 (0.49) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6240863 0.85 ADAM17 (0.54) ADAM17MMP1MMP3MMP9MMP13

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 disclosed