SCHEMBL7954530

SCHEMBL7954530

O=C(O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.68
MMP9 P14780 17/20 0.68
ADAMTS5 Q9UNA0 1/20 0.61
MMP1 P03956 2/20 0.61
MMP14 P50281 2/20 0.61
ADAM17 P78536 2/20 0.61
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
ADAMTS4 O75173 1/20 0.57

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
SCHEMBL7959937 0.94 MMP2 (0.69) MMP2MMP9ADAMTS5MMP1MMP14
SCHEMBL5033356 0.94 MMP2 (0.69) MMP2MMP9ADAMTS5MMP1MMP14
Hydroxyamine SCHEMBL7688383 0.92 MMP2 (0.67) MMP2MMP9ADAMTS5MMP1MMP14
SCHEMBL7945656 0.89 MMP2 (0.77) MMP2MMP9ADAMTS5MMP1MMP14
SCHEMBL7952666 0.89 MMP2 (0.67) MMP2MMP9ADAMTS5MMP1MMP8
SCHEMBL7952667 0.89 MMP2 (0.67) MMP2MMP9ADAMTS5MMP1MMP8
SCHEMBL7945731 0.85 MMP2 (0.57) MMP2MMP9ADAMTS5MMP1MMP14
SCHEMBL6719641 0.83 MMP2 (0.62) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL5034658 0.83 MMP2 (0.68) MMP2MMP9ADAMTS5MMP1MMP14
SCHEMBL6722448 0.83 MMP2 (0.64) MMP2MMP9MMP1MMP14ADAM17

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-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed