SCHEMBL7956006

SCHEMBL7956006

COc1ccc(-c2ccc(S(=O)(=O)N[C@H](CCCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.64
MMP9 P14780 15/20 0.64
MMP13 P45452 8/20 0.56
MMP1 P03956 6/20 0.56
MMP3 P08254 5/20 0.56
MMP8 P22894 2/20 0.56
MMP14 P50281 3/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAM17 P78536 2/20 0.51
ADAM10 O14672 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
SCHEMBL6722448 0.91 MMP2 (0.64) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7952563 0.88 MMP2 (0.59) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7956126 0.88 MMP2 (0.55) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7956055 0.87 MMP2 (0.57) MMP2MMP9MMP13MMP1MMP3
SCHEMBL5033356 0.87 MMP2 (0.69) MMP2MMP9MMP13MMP1MMP8
SCHEMBL7959937 0.87 MMP2 (0.69) MMP2MMP9MMP13MMP1MMP8
Hydroxyamine SCHEMBL7688383 0.85 MMP2 (0.67) MMP2MMP9MMP13MMP1MMP8
SCHEMBL7945731 0.84 MMP2 (0.57) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7956109 0.83 MMP2 (0.51) MMP2MMP9MMP13MMP1MMP3
SCHEMBL6719170 0.83 MMP2 (0.61) MMP2MMP9MMP13MMP1MMP3

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