SCHEMBL7323522

SCHEMBL7323522

CCN(CC)CCOc1ccc(C(=O)NO)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.66
MMP9 P14780 16/20 0.66
MMP1 P03956 15/20 0.66
MMP12 P39900 1/20 0.62
ADAM17 P78536 6/20 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
SCHEMBL5163025 0.83 MMP13 (0.75) MMP13MMP9MMP1MMP12ADAM17
SCHEMBL7317324 0.82 MMP9 (0.79) MMP13MMP9MMP1MMP12ADAM17
SCHEMBL7819094 0.81 MMP9 (0.79) MMP13MMP9MMP1ADAM17
SCHEMBL7319443 0.79 MMP13 (1.00) MMP13MMP9MMP1MMP12ADAM17
SCHEMBL7323467 0.79 MMP9 (0.82) MMP13MMP9MMP1ADAM17
SCHEMBL7323843 0.79 MMP9 (0.81) MMP13MMP9MMP1ADAM17
SCHEMBL7321892 0.79 MMP9 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL7323902 0.79 MMP13 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL7318209 0.78 MMP9 (0.83) MMP13MMP9MMP1ADAM17
SCHEMBL7316363 0.77 MMP9 (0.85) MMP13MMP9MMP1ADAM17

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