SCHEMBL7425260

SCHEMBL7425260

CC(CCCCNC(=O)CCCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.72
MMP9 P14780 11/20 0.72
MMP1 P03956 4/20 0.72
MMP3 P08254 4/20 0.72
MMP7 P09237 4/20 0.72
MMP13 P45452 4/20 0.72
MMP8 P22894 5/20 0.56
MMP12 P39900 5/20 0.56
MMP14 P50281 5/20 0.56
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
SCHEMBL6417231 0.89 MMP2 (0.91) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6419967 0.85 MMP2 (0.88) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6417025 0.85 MMP2 (0.88) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7427052 0.83 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6412212 0.78 MMP2 (0.73) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4515726 0.77 ALDH1A1 (0.81) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6417083 0.77 MMP2 (0.82) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7428305 0.76 MMP2 (0.59) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6414627 0.76 MMP2 (0.84) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6414105 0.75 MMP2 (0.71) MMP2MMP9MMP1MMP3MMP7

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