SCHEMBL6656982

SCHEMBL6656982

CC#CCOc1ccc(S(=O)(=O)N(O)C(=O)CCCCC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.54
MMP13 P45452 15/20 0.54
MMP9 P14780 13/20 0.54
MMP1 P03956 12/20 0.54
MMP2 P08253 4/20 0.53
MMP8 P22894 3/20 0.53
MMP7 P09237 2/20 0.53
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
SCHEMBL7366235 0.74 ADAM17 (0.68) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL7354960 0.72 ADAM17 (0.80) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6708417 0.72 ADAM17 (0.56) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6508472 0.72 ADAM17 (0.76) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL3946372 0.71 ADAM17 (0.77) ADAM17MMP13MMP9MMP1MMP8
SCHEMBL6506403 0.71 CA1 (0.65) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL14245317 0.71 ADAM17 (0.63) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6499544 0.70 ADAM17 (0.77) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL3940240 0.70 ADAM17 (1.00) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6627004 0.70 ADAM17 (0.58) ADAM17MMP13MMP9MMP1MMP2

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-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP claimed