SCHEMBL13899003

SCHEMBL13899003

CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.74
MMP13 P45452 6/20 0.65
MMP2 P08253 5/20 0.65
MMP14 P50281 5/20 0.65
ADAMTS4 O75173 1/20 0.65
ADAMTS5 Q9UNA0 1/20 0.65
MMP1 P03956 6/20 0.65
MMP8 P22894 6/20 0.65
MMP9 P14780 4/20 0.65
ADAM17 P78536 1/20 0.65
MMP16 P51512 2/20 0.61
MMP7 P09237 2/20 0.60
MMP12 P39900 2/20 0.60
MEP1B Q16820 2/20 0.54
BMP1 P13497 2/20 0.54
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL7340897 0.92 MMP3 (0.76) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL26781503 0.90 MMP3 (0.76) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL3912945 0.86 MMP8 (0.81) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL13898772 0.86 MMP1 (0.66) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL598146 0.86 MMP3 (0.79) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL3913258 0.85 MMP3 (0.57) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL7350210 0.85 MMP3 (1.00) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL3913506 0.84 MEP1B (0.76) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL7348184 0.84 MMP3 (0.82) MMP3MMP13MMP2MMP14ADAMTS4
SCHEMBL3924379 0.83 MMP1 (0.62) MMP3MMP13MMP2MMP14MMP1

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
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed