SCHEMBL8321971

SCHEMBL8321971

C=C(CCCC(=O)N(C)OC)COc1ccc(S(=O)(=O)C2(C(=O)NOC3CCCCO3)CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.46
MMP2 P08253 19/20 0.46
MMP8 P22894 16/20 0.46
MMP9 P14780 12/20 0.45
MMP1 P03956 3/20 0.44
ADAM17 P78536 1/20 0.44
MMP3 P08254 2/20 0.40

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
SCHEMBL6223521 0.92 MMP13 (0.54) MMP13MMP2MMP8MMP9MMP1
SCHEMBL8329108 0.90 MMP13 (0.52) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6225293 0.79 MMP13 (0.56) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6268548 0.79 MMP13 (0.49) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6224271 0.78 MMP13 (0.55) MMP13MMP2MMP8MMP9MMP1
SCHEMBL6223522 0.78 MMP13 (0.54) MMP13MMP2MMP8MMP9MMP1
SCHEMBL5919374 0.75 MMP13 (0.48) MMP13MMP2MMP8MMP9MMP1
SCHEMBL8334721 0.73 MMP13 (0.50) MMP13MMP2MMP8MMP9MMP1
SCHEMBL8325431 0.72 MMP13 (0.47) MMP13MMP2MMP8MMP9MMP1
SCHEMBL5908513 0.71 MMP8 (0.50) MMP13MMP2MMP8MMP9MMP1

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
WO-2004043943-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-05-27 WO disclosed