SCHEMBL7414596

SCHEMBL7414596

CCCCCCCCOc1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)C(C(N)=O)C3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.59
MMP9 P14780 13/20 0.59
MMP13 P45452 13/20 0.59
MMP3 P08254 11/20 0.59
MMP7 P09237 11/20 0.59
DRD3 P35462 1/20 0.47
DRD2 P14416 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7413401 0.79 MMP1 (0.59) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1272867 0.75 MMP1 (1.00) MMP1MMP9MMP13MMP3MMP7
SCHEMBL8156569 0.73 HPGD (0.81) DRD3DRD2
SCHEMBL7370308 0.73 MMP1 (0.74) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7375156 0.72 MMP1 (0.77) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6906972 0.70 MMP1 (0.79) MMP1MMP9MMP13MMP3MMP7
SCHEMBL751732 0.69 LMNA (0.65)
SCHEMBL28019708 0.69 MMP1 (0.66) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7683254 0.68 MMP1 (0.64) MMP1MMP9MMP13MMP3MMP7

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