SCHEMBL7310514

SCHEMBL7310514

NC(=O)CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.49
KDM2B Q8NHM5 6/20 0.45
MMP2 P08253 5/20 0.44
MMP9 P14780 5/20 0.44
MMP3 P08254 3/20 0.43
MMP13 P45452 3/20 0.43
MMP8 P22894 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ICMT O60725 1/20 0.41
OPRK1 P41145 1/20 0.40

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
SCHEMBL7299271 0.88 MMP1 (0.66) MMP1KDM2BMMP2MMP9MMP3
SCHEMBL7308944 0.86 MMP1 (0.51) MMP1KDM2BMMP2MMP9MMP3
SCHEMBL5919626 0.79 MMP9 (0.67) MMP1MMP2MMP9MMP3MMP13
SCHEMBL7302735 0.79 MMP1 (0.54) MMP1KDM2BMMP2MMP9MMP3
SCHEMBL7302817 0.79 MMP1 (0.67) MMP1MMP2MMP9MMP3MMP13
Hydrochloric Acid SCHEMBL6537429 0.78 MMP9 (0.66) MMP1MMP2MMP9MMP3MMP13
SCHEMBL8428232 0.78 MMP9 (0.45) MMP1KDM2BMMP2MMP9MMP3
SCHEMBL7301752 0.77 MMP1 (0.52) MMP1MMP2MMP9MMP3MMP13
SCHEMBL7313624 0.77 MMP1 (0.41) MMP1KDM2BMMP2MMP9MMP3
SCHEMBL7301736 0.74 MMP1 (0.70) MMP1MMP2MMP9MMP3MMP13

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed