SCHEMBL5575571

SCHEMBL5575571

CC(C)(C)OC(=O)NCCCCC(CCCNC(=O)OC(C)(C)C)(CCN(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA12 O43570 6/20 0.37
CA9 Q16790 6/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PAOX Q6QHF9 2/20 0.36
DRD2 P14416 2/20 0.32
KDM4A O75164 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.32
DOHH Q9BU89 1/20 0.32

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
SCHEMBL7264039 0.86 CA14 (0.58) CA14TDP1MAOAMAOBCA1
SCHEMBL7096250 0.86 TDP1 (0.53) TDP1MAOAMAOBCA1CA2
SCHEMBL7092307 0.86 TDP1 (0.53) TDP1MAOAMAOBCA1CA2
SCHEMBL7270004 0.86 CA14 (0.58) CA14TDP1MAOAMAOBCA1
SCHEMBL19340291 0.85 CA14 (0.57) CA14TDP1MAOAMAOBCA1
SCHEMBL5919555 0.84 CA14 (0.58) CA14TDP1MAOAMAOBCA1
SCHEMBL7631999 0.84 CA14 (0.62) CA14TDP1MAOAMAOBCA1
SCHEMBL10181287 0.83 CA14 (0.53) CA14TDP1MAOAMAOBCA1
SCHEMBL3472122 0.81 CA14 (0.62) CA14TDP1MAOAMAOBCA1
SCHEMBL13055412 0.81 CA14 (0.64) CA14TDP1MAOAMAOBCA1

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
EP-1187807-B1 BIPOLAR LIPIDS AND THEIR USE FOR THE DELIVERY OF BIOACTIVE SUBSTANCES CELLTECH R&D LTD (GB) 2007-07-25 EP disclosed