SCHEMBL6864101

SCHEMBL6864101

CN(CCN(CC(=O)NO)[S+]([O-])c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)OCCN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 13/20 0.38
MMP3 P08254 1/20 0.36
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10067173 0.83 MMP3 (0.49) AHCYMMP3LTA4HPTGS2
SCHEMBL328413 0.82 MMP3 (0.51) AHCYMMP3HRH3
SCHEMBL6864366 0.81 ALDH1A1 (0.34) MMP3
SCHEMBL6864164 0.80 MMP2 (0.33) MMP3LTA4H
SCHEMBL6865493 0.79 MMP3 (0.42) MMP3
SCHEMBL6863772 0.78 ALDH1A1 (0.35) LTA4HKDM4E
SCHEMBL6864813 0.78 MMP1 (0.38) MMP3
SCHEMBL6863775 0.78 MMP1 (0.37) MMP3
SCHEMBL6852386 0.75 MMP3 (0.38) AHCYMMP3LTA4HPTGS2HRH3
SCHEMBL6864356 0.74 MEN1 (0.37) MMP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed