SCHEMBL7260637

SCHEMBL7260637

CC(C)(C)OC(=O)NCCCCC(CCCNC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C(CCCCCCO)CN(CCCC(CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
CA14 Q9ULX7 1/20 0.35
NPSR1 Q6W5P4 5/20 0.34
POLB P06746 3/20 0.34
ATM Q13315 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL7265960 0.89 MEN1 (0.33) TDP1MEN1KMT2AGAACA14
SCHEMBL6888540 0.80 TDP1 (0.37) TDP1MEN1KMT2AGAACA14
SCHEMBL3289724 0.78 TDP1 (0.44) TDP1MEN1KMT2AGAACA14
SCHEMBL6890969 0.78 TDP1 (0.33) TDP1MEN1KMT2AGAACA14
SCHEMBL3162813 0.77 TDP1 (0.69) TDP1MEN1KMT2AGAANPSR1
SCHEMBL3288385 0.77 TDP1 (0.49) TDP1MEN1KMT2AGAACA14
SCHEMBL13327079 0.75 TDP1 (0.60) TDP1MEN1KMT2AGAACA14
SCHEMBL3288396 0.74 TDP1 (0.53) TDP1MEN1KMT2AGAACA14
SCHEMBL16349550 0.73 TDP1 (0.57) TDP1MEN1KMT2AGAACA14
SCHEMBL567298 0.71 TDP1 (0.53) TDP1MEN1KMT2AGAACA14

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-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US disclosed