SCHEMBL6864355

SCHEMBL6864355

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.47
MMP1 P03956 6/20 0.47
MMP8 P22894 5/20 0.47
MMP7 P09237 3/20 0.47
MMP12 P39900 3/20 0.47
MEP1B Q16820 3/20 0.42
BMP1 P13497 2/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40
MMP3 P08254 8/20 0.40

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
SCHEMBL6863094 0.91 MMP13 (0.37) MMP13MMP1MMP8MMP7MMP12
SCHEMBL328408 0.89 PDK2 (0.35) MMP13MMP1MMP8MMP7MMP12
SCHEMBL6863608 0.88 MMP1 (0.47) MMP13MMP1MMP8MMP7MMP12
SCHEMBL328418 0.86 MMP1 (0.45) MMP13MMP1MMP8MMP7MMP12
SCHEMBL6863736 0.82 MMP1 (0.53) MMP13MMP1MMP8MMP7MMP12
SCHEMBL328404 0.79 BMP1 (0.43) MMP13MMP1MMP8MMP7MMP12
SCHEMBL328653 0.79 MMP13 (0.46) MMP13MMP1MMP8MMP7MMP12
SCHEMBL328492 0.79 MMP1 (0.42) MMP13MMP1MMP8MMP7MMP12
SCHEMBL6864863 0.78 MMP2 (0.45) MMP13MMP1MMP8MMP7MMP12
SCHEMBL328411 0.77 MMP3 (0.40) MMP13MMP1MMP8MMP7MMP12

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