SCHEMBL7428305

SCHEMBL7428305

CC(C)COC(=O)NCCCCC(C)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.59
MMP9 P14780 16/20 0.59
MMP1 P03956 11/20 0.59
MMP3 P08254 11/20 0.59
MMP13 P45452 11/20 0.59
MMP7 P09237 10/20 0.59
MMP14 P50281 3/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP8 P22894 2/20 0.41
MMP12 P39900 2/20 0.41

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
SCHEMBL6414527 0.89 MMP2 (0.75) MMP2MMP9MMP1MMP3MMP13
SCHEMBL7427052 0.78 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP13
SCHEMBL7425260 0.76 MMP2 (0.72) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6418173 0.74 MMP2 (0.73) MMP2MMP9MMP1MMP3MMP13
SCHEMBL29347161 0.72 LMNA (0.51) ALDH1A1LMNAMMP8
SCHEMBL12656355 0.72 CA12 (0.57) MMP2MMP9MMP1MMP3MMP13
SCHEMBL10119353 0.69 LMNA (0.51) ALDH1A1LMNA
SCHEMBL14191408 0.69 MMP2 (0.74) MMP2MMP9MMP1MMP3MMP13
SCHEMBL13186484 0.69 SMN1; SMN2 (0.60) ALDH1A1LMNA
SCHEMBL6419846 0.68 MMP2 (0.65) MMP2MMP9MMP1MMP3MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
US-6133304-A TREATING FIBROSIS, VENTRICULAR DILATION, AND/OR HEART FAILURE IN A MAMMAL BY ADMINISTERING AN ANTIFIBROTIC AMOUNT OF A MIXTURE OF AN ANGIOTENSIN-CONVERTING ENZYME(ACE) INHIBITOR AND AT LEAST ONE MATRIX METALLOPROTEINASE(MMP) INHIBITOR WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed