SCHEMBL328413

SCHEMBL328413

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)OCCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.51
AHCY P23526 5/20 0.38
MMP1 P03956 2/20 0.37
MMP13 P45452 2/20 0.37
MMP9 P14780 2/20 0.37
ADAM17 P78536 1/20 0.37
BMP1 P13497 2/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MEP1B Q16820 1/20 0.36
MMP2 P08253 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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 0.99 MMP3 (0.49) MMP3AHCYMMP1MMP13MMP9
SCHEMBL6852333 0.91 MMP3 (0.39) MMP3AHCYMMP9HRH3MMP2
SCHEMBL6852386 0.90 MMP3 (0.38) MMP3AHCYMMP1MMP13MMP9
SCHEMBL10067178 0.88 MMP3 (0.50) MMP3AHCY
SCHEMBL328404 0.87 BMP1 (0.43) MMP3MMP1MMP13MMP9BMP1
SCHEMBL6863812 0.86 MMP3 (0.52) MMP3AHCYMMP1MMP13MMP9
SCHEMBL328411 0.83 MMP3 (0.40) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328388 0.82 MMP3 (0.43) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6864863 0.82 MMP2 (0.45) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6864101 0.82 AHCY (0.38) MMP3AHCYHRH3

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
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