SCHEMBL8319573

SCHEMBL8319573

CC(C)OC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)NO)C[C@H]4CCC[C@H]43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.44
MMP9 P14780 7/20 0.44
MMP12 P39900 1/20 0.44
POLB P06746 1/20 0.42
MMP8 P22894 4/20 0.41
MMP3 P08254 3/20 0.41
ALDH1A1 P00352 1/20 0.40
MMP14 P50281 1/20 0.40
KMT2A Q03164 1/20 0.39
GFER P55789 1/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2958796 0.90 ALDH1A1 (0.48) MMP2MMP9POLBALDH1A1MMP14
SCHEMBL8320192 0.90 ALDH1A1 (0.48) MMP2MMP9POLBALDH1A1MMP14
SCHEMBL13480198 0.86 MMP2 (0.47) MMP2MMP9MMP12POLBMMP8
SCHEMBL8325206 0.85 MMP2 (0.48) MMP2MMP9MMP12POLBMMP8
SCHEMBL8320621 0.84 POLB (0.60) MMP2MMP9MMP12POLBALDH1A1
SCHEMBL13201342 0.83 MMP2 (0.52) MMP2MMP9MMP12MMP8MMP3
SCHEMBL3163162 0.83 POLB (0.42) MMP2MMP9POLBALDH1A1MMP14
SCHEMBL8320651 0.82 MMP9 (0.62) MMP2MMP9MMP12MMP8MMP3
SCHEMBL16298354 0.81 MMP2 (0.49) MMP2MMP9MMP12MMP8MMP3
SCHEMBL13201330 0.81 MMP8 (0.52) MMP2MMP9MMP12MMP8MMP3

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-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed