SCHEMBL7413401

SCHEMBL7413401

COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.59
MMP13 P45452 12/20 0.59
MMP9 P14780 11/20 0.59
MMP3 P08254 11/20 0.59
MMP7 P09237 10/20 0.59
TP53 P04637 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL12479656 0.85 MMP1 (0.79) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7370308 0.79 MMP1 (0.74) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7414596 0.79 MMP1 (0.59) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7685731 0.79 MMP1 (0.58) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7685735 0.79 MMP1 (0.58) MMP1MMP13MMP9MMP3MMP7
SCHEMBL7375156 0.78 MMP1 (0.77) MMP1MMP13MMP9MMP3MMP7
SCHEMBL3825843 0.76 HCRTR1 (0.53) TP53
SCHEMBL7683254 0.76 MMP1 (0.64) MMP1MMP13MMP9MMP3MMP7
SCHEMBL28019708 0.75 MMP1 (0.66) MMP1MMP13MMP9MMP3MMP7
SCHEMBL6906972 0.74 MMP1 (0.79) MMP1MMP13MMP9MMP3MMP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923563-A1 1,4-HETEROCYCLIC METALLPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-06-23 EP disclosed
WO-1998008825-A1 1,4-HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed