SCHEMBL7367930

SCHEMBL7367930

COc1ccc(S(=O)(=O)C(CC(C)C)NCC(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.56
MMP1 P03956 13/20 0.53
MMP2 P08253 13/20 0.53
MMP3 P08254 13/20 0.53
MMP13 P45452 4/20 0.52
PDE4A P27815 6/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
MMP8 P22894 2/20 0.49
MMP12 P39900 1/20 0.49
MMP9 P14780 2/20 0.47
MMP14 P50281 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
SCHEMBL6414410 0.82 MMP1 (0.58) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL6415300 0.82 MMP1 (0.68) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL8412098 0.81 MMP1 (0.69) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL8121331 0.79 MEP1B (0.54) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL7366924 0.77 MMP2 (0.54) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL7410575 0.76 MEP1B (0.91) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL7415077 0.72 MMP9 (0.53) MMP1MMP2MMP3MMP13PDE4A
SCHEMBL6934594 0.71 MMP1 (0.73) MMP1MMP2MMP3MMP13PDE4A
SCHEMBL598146 0.69 MMP3 (0.79) MEP1BMMP1MMP2MMP3MMP13
SCHEMBL6928607 0.69 MMP1 (1.00) MMP1MMP2MMP3MMP13PDE4A

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
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed