SCHEMBL8330593

SCHEMBL8330593

CC(=O)c1ccc(OCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.78
MMP9 P14780 10/20 0.78
MMP1 P03956 7/20 0.78
ADAM17 P78536 1/20 0.78
MMP2 P08253 17/20 0.75
MMP8 P22894 16/20 0.75
MMP3 P08254 4/20 0.69
MMP14 P50281 4/20 0.62
MMP7 P09237 1/20 0.61

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
SCHEMBL8330591 0.90 MMP13 (0.77) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8321368 0.90 MMP13 (0.76) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8321375 0.90 MMP13 (0.70) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8334433 0.88 MMP13 (0.80) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8322254 0.86 MMP13 (0.76) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL5919322 0.85 MMP13 (0.94) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL5908643 0.84 MMP13 (0.77) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6226668 0.83 MMP13 (0.85) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8334869 0.83 MMP13 (0.69) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8326831 0.83 MMP13 (0.75) MMP13MMP9MMP1ADAM17MMP2

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