SCHEMBL6630484

SCHEMBL6630484

[CH2]C(C)(SCCCO)[C@@H](NS(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.58
MMP1 P03956 12/20 0.58
MMP9 P14780 11/20 0.58
MMP13 P45452 11/20 0.58
MMP14 P50281 2/20 0.48
ADAM10 O14672 1/20 0.48
MMP7 P09237 1/20 0.48
MMP8 P22894 1/20 0.48
MMP2 P08253 1/20 0.45

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
SCHEMBL6501113 0.91 ADAM17 (0.60) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6754092 0.87 ADAM17 (0.56) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6506054 0.85 ADAM17 (0.62) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6507798 0.85 ADAM17 (0.62) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6932556 0.83 ADAM17 (0.72) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3938817 0.83 ADAM17 (0.72) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6754091 0.83 ADAM17 (0.57) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6528257 0.80 ADAM17 (0.67) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6648362 0.79 ADAM17 (0.68) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6498496 0.79 ADAM17 (0.54) ADAM17MMP1MMP9MMP13MMP14

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-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed