SCHEMBL8325206

SCHEMBL8325206

O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)NO)C[C@H]4CCC[C@H]43)cc2)cc1)OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.48
MMP9 P14780 6/20 0.48
MMP8 P22894 6/20 0.43
MMP3 P08254 3/20 0.43
MMP12 P39900 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.39
BCHE P06276 3/20 0.38
MAOB P27338 2/20 0.38
ACHE P22303 2/20 0.38
MGLL Q99685 1/20 0.38
PTGIR P43119 1/20 0.38
MAPK1 P28482 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
SCHEMBL2963666 0.91 ALDH1A1 (0.45) MMP2MMP9LMNAPOLBBCHE
SCHEMBL13480198 0.88 MMP2 (0.47) MMP2MMP9MMP8MMP3MMP12
SCHEMBL8319573 0.85 MMP2 (0.44) MMP2MMP9MMP8MMP3MMP12
SCHEMBL3164298 0.84 LMNA (0.41) MMP2MMP9LMNAPOLBBCHE
SCHEMBL13201342 0.82 MMP2 (0.52) MMP2MMP9MMP8MMP3MMP12
SCHEMBL8320621 0.80 POLB (0.60) MMP2MMP9MMP12LMNAPOLB
SCHEMBL8320651 0.80 MMP9 (0.62) MMP2MMP9MMP8MMP3MMP12
SCHEMBL16298354 0.79 MMP2 (0.49) MMP2MMP9MMP8MMP3MMP12
SCHEMBL13201330 0.79 MMP8 (0.52) MMP2MMP9MMP8MMP3MMP12
SCHEMBL13480199 0.79 MMP2 (0.49) MMP2MMP9MMP8MMP3MMP12

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