SCHEMBL8894875

SCHEMBL8894875

CC(C)(C)OC(=O)CC1CNCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(Cc2ccc(O)cc2)CN1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC9 Q9Y397 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.34
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL30823366 0.85 PLA2G10 (0.38) ZDHHC9PLA2G10PLA2G5GRIN2DGRIN3B
SCHEMBL9274528 0.85 PLA2G10 (0.38) ZDHHC9PLA2G10PLA2G5GRIN2DGRIN3B
SCHEMBL30833586 0.77 PARP1 (0.35) PARP1PLA2G10PLA2G5
SCHEMBL3470165 0.77 PARP1 (0.37) PARP1PLA2G10PLA2G5CA1CA2
SCHEMBL23191925 0.76 PLA2G10 (0.37) PLA2G10PLA2G5
SCHEMBL5864550 0.76 PLA2G10 (0.37) PLA2G10PLA2G5
SCHEMBL27150526 0.76 PLA2G10 (0.37) L3MBTL1TDP1PLA2G10PLA2G5
SCHEMBL27145945 0.76 PLA2G10 (0.37) L3MBTL1TDP1PLA2G10PLA2G5
SCHEMBL10375621 0.74 GRIN2B (0.44) PLA2G10PLA2G5GRIN2DGRIN3BADRA1D
SCHEMBL27269591 0.73 MEN1 (0.43) L3MBTL1

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
US-5681543-A Polymer-bonded complexing agents and pharmaceutical agents containing them for MRI SHERING AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5681544-A Polymer-bonded complexing agents, their complexes and conjugates, processes for their production and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed