SCHEMBL7956055

SCHEMBL7956055

CCOc1ccc(S(=O)(=O)N[C@H](CCCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.57
MMP9 P14780 11/20 0.57
MMP1 P03956 3/20 0.57
MMP14 P50281 3/20 0.57
ADAM17 P78536 3/20 0.57
ADAM10 O14672 1/20 0.57
ALDH1A1 P00352 1/20 0.53
MMP13 P45452 3/20 0.50
MMP3 P08254 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNA5 P22460 1/20 0.46
MMP8 P22894 1/20 0.45
ADAMTS4 O75173 1/20 0.45

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
SCHEMBL7956126 0.89 MMP2 (0.55) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7956006 0.87 MMP2 (0.64) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7945731 0.85 MMP2 (0.57) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7956109 0.84 MMP2 (0.51) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL6722448 0.83 MMP2 (0.64) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL6719641 0.82 MMP2 (0.62) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7952563 0.82 MMP2 (0.59) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7959937 0.82 MMP2 (0.69) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL5033356 0.82 MMP2 (0.69) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL6719056 0.81 MMP9 (0.66) 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