SCHEMBL4523624

SCHEMBL4523624

CN(C(=O)OC(C)(C)C)C(CCCCNC(=O)OC(C)(C)C)(CCCNC(=O)OC(C)(C)C)C(CCCCCCN)CNC(=O)OC(C)(C)CCCCC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 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
SCHEMBL3293809 0.82 CYP3A4 (0.32) TDP1MAOAMAOBMEN1GAA
SCHEMBL3288058 0.80 TDP1 (0.31) TDP1MEN1GAAKMT2A
SCHEMBL3289724 0.78 TDP1 (0.44) TDP1MAOAMAOBMEN1GAA
SCHEMBL3289322 0.75 CYP3A4 (0.32) TDP1MAOAMAOBMEN1GAA
SCHEMBL3290477 0.74 CA1 (0.33) TDP1MEN1GAAKMT2ACA1
SCHEMBL7092307 0.68 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL7096250 0.68 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL220281 0.68 TDP1 (0.71) TDP1MAOAMAOBMEN1GAA
SCHEMBL146037 0.68 TDP1 (0.71) TDP1MAOAMAOBMEN1GAA
SCHEMBL5866373 0.68 TDP1 (0.71) TDP1MAOAMAOBMEN1GAA

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-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed