SCHEMBL7427052

SCHEMBL7427052

CC(CCCCNC(=O)COc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.56
MMP9 P14780 12/20 0.56
MMP3 P08254 8/20 0.56
MMP13 P45452 8/20 0.56
MMP1 P03956 7/20 0.56
MMP7 P09237 7/20 0.56
ALDH1A1 P00352 2/20 0.52
SGMS1 Q86VZ5 1/20 0.49
MMP14 P50281 4/20 0.49
MMP8 P22894 3/20 0.49
MMP12 P39900 3/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6413001 0.89 MMP2 (0.72) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7425260 0.83 MMP2 (0.72) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6414915 0.82 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6415418 0.80 MMP2 (0.63) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6419116 0.80 MMP2 (0.61) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6417672 0.78 MMP2 (0.60) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7428305 0.78 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6420474 0.76 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6418883 0.74 MMP2 (0.65) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6417083 0.73 MMP2 (0.82) MMP2MMP9MMP3MMP13MMP1

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