SCHEMBL6865718

SCHEMBL6865718

CN(CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.58
MMP1 P03956 4/20 0.52
MMP8 P22894 3/20 0.52
MMP13 P45452 3/20 0.52
MMP7 P09237 2/20 0.52
MMP12 P39900 2/20 0.52
BMP1 P13497 2/20 0.50
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
MMP16 P51512 1/20 0.47
MEP1B Q16820 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6864106 0.91 MMP3 (0.50) MMP3MMP1MMP8MMP13MMP7
SCHEMBL10067175 0.89 ALDH1A1 (0.45) MMP3BMP1ALDH1A1GAAMAPT
SCHEMBL328406 0.84 MMP3 (0.49) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328554 0.84 MMP3 (0.48) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328417 0.80 MEN1 (0.43) MMP3ALDH1A1GAAMAPTLMNA
SCHEMBL328403 0.80 MEN1 (0.40) MMP3BMP1ALDH1A1GAAMAPT
SCHEMBL13899087 0.79 MMP3 (0.60) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328558 0.78 MMP3 (0.43) MMP3MMP1MMP8MMP13MMP7
SCHEMBL13899034 0.78 L3MBTL1 (0.61) MMP3MMP1MMP8MMP13MMP7
SCHEMBL10067174 0.77 MMP1 (0.54) MMP3MMP1MMP8MMP13MMP7

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