SCHEMBL27651990

SCHEMBL27651990

NCCCOS(=O)(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 7/20 0.31
CA2 P00918 7/20 0.31
CA9 Q16790 7/20 0.31
CA12 O43570 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 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
SCHEMBL6849661 0.76 KMT2A (0.39) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL16382363 0.69 CA12 (0.30) CA2CA9CA12CA7CA14
SCHEMBL27631550 0.69 CA1 (0.32) CA1CA2CA9
SCHEMBL6764098 0.67 NPSR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25235972 0.67 EPHX1 (0.36) ALDH1A1LMNACA1CA2CA9
SCHEMBL27396997 0.66 CA1 (0.42) ALDH1A1LMNACA1CA2CA9
SCHEMBL8506764 0.65 CA1 (0.46) ALDH1A1LMNACA1CA2CA9
SCHEMBL5984526 0.65
SCHEMBL1279310 0.65
SCHEMBL27706075 0.64 CA1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-1839118-B Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INTERNATIONAL LTD 2010-06-16 CN disclosed
CN-101712640-A methods and compositions for treating amyloid-related diseases BELLUS HEALTH INTERNAT LT 2010-05-26 CN disclosed
CN-1839118-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN disclosed