SCHEMBL7323399

SCHEMBL7323399

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3ccccc3)c2C(=O)NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.49
MMP13 P45452 15/20 0.49
MMP1 P03956 13/20 0.49
MMP2 P08253 10/20 0.49
MMP8 P22894 8/20 0.49
MMP12 P39900 8/20 0.49
MMP14 P50281 8/20 0.49
MMP16 P51512 8/20 0.49
MMP3 P08254 6/20 0.49
ADAM17 P78536 1/20 0.49
TP53 P04637 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL7325505 0.92 MMP9 (0.46) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7319004 0.92 MMP9 (0.48) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7316165 0.92 MMP9 (0.48) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7321847 0.91 MMP13 (0.44) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7316684 0.91 MMP9 (0.46) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7323949 0.91 EGFR (0.44) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7317445 0.90 MMP13 (0.45) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7317410 0.90 ALDH1A1 (0.47) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7322659 0.90 MMP2 (0.47) MMP9MMP13MMP1MMP2MMP8
SCHEMBL7321840 0.90 MMP9 (0.44) MMP9MMP13MMP1MMP2MMP8

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed