SCHEMBL7977189

SCHEMBL7977189

CN1C(=O)N(CCCC(C)(CBr)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.39
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
MMP2 P08253 8/20 0.33
MMP9 P14780 8/20 0.33
MMP3 P08254 7/20 0.33
MMP1 P03956 7/20 0.33
MMP13 P45452 7/20 0.33
MMP7 P09237 2/20 0.33
MMP14 P50281 2/20 0.33
MMP8 P22894 5/20 0.32
ADAM17 P78536 1/20 0.30

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
SCHEMBL7974063 0.85 PLA2G7 (0.38) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL6946388 0.76 MMP2 (0.40) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL4827863 0.72 PLA2G7 (0.46) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL1593903 0.72 PLA2G7 (0.45) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL7425977 0.71 PLA2G7 (0.34) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL5036973 0.71 PLA2G7 (0.46) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL8019774 0.70 PLA2G7 (0.46) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL6945464 0.69 PLA2G7 (0.49) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL7603860 0.69 PLA2G7 (0.40) PLA2G7NR1H2NR1H3MMP2MMP9
SCHEMBL7221727 0.69 MMP2 (0.37) PLA2G7NR1H2NR1H3MMP2MMP9

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
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed