SCHEMBL6850430

SCHEMBL6850430

COCCOC(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.46
MMP13 P45452 5/20 0.46
MMP8 P22894 4/20 0.46
MMP7 P09237 3/20 0.46
MMP12 P39900 3/20 0.46
BMP1 P13497 3/20 0.44
MEP1B Q16820 1/20 0.43
MMP3 P08254 9/20 0.41
MMP2 P08253 2/20 0.40
MMP14 P50281 2/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.39
MMP16 P51512 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10067174 0.90 MMP1 (0.54) MMP1MMP13MMP8MMP7MMP12
SCHEMBL6850427 0.87 BMP1 (0.43) MMP1MMP13MMP8MMP7MMP12
SCHEMBL6850876 0.84 MMP1 (0.46) MMP1MMP13MMP8MMP7MMP12
SCHEMBL328418 0.84 MMP1 (0.45) MMP1MMP13MMP8MMP7MMP12
SCHEMBL6850534 0.81 MMP13 (0.40) MMP1MMP13MMP8MMP7MMP12
SCHEMBL6850891 0.79 ALDH1A1 (0.43) MMP1MMP13MMP8MMP7MMP12
SCHEMBL328402 0.78 MEP1B (0.44) MMP1MMP13MMP8MMP7MMP12
SCHEMBL328404 0.78 BMP1 (0.43) MMP1MMP13MMP8MMP7MMP12
SCHEMBL328653 0.77 MMP13 (0.46) MMP1MMP13MMP8MMP7MMP12
SCHEMBL328410 0.76 MEP1B (0.42) MMP1MMP13MMP8MMP7MMP12

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 3 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
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed