SCHEMBL6863158

SCHEMBL6863158

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.43
MEP1B Q16820 1/20 0.41
MMP1 P03956 4/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
MMP7 P09237 2/20 0.39
MMP12 P39900 2/20 0.39
LMNA P02545 1/20 0.39
BMP1 P13497 3/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
THRB P10828 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
SCHEMBL328478 0.90 LMNA (0.35) MMP3LMNABMP1CA9CA1
SCHEMBL6863166 0.84 MMP1 (0.40) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL328492 0.84 MMP1 (0.42) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL6851737 0.83 TDP1 (0.41) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL328407 0.83 MMP1 (0.43) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL328649 0.83 MMP1 (0.44) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL6863163 0.82 MMP1 (0.44) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL6865083 0.82 MMP1 (0.48) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL6864397 0.82 MMP1 (0.44) MMP3MEP1BMMP1MMP8MMP13
SCHEMBL328388 0.82 MMP3 (0.43) MMP3MEP1BMMP1MMP8MMP13

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