SCHEMBL3290852

SCHEMBL3290852

CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(CCCCCCN)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CA14 Q9ULX7 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 1/20 0.36
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL3288396 0.91 TDP1 (0.53) TDP1CA14MAOAMAOBMEN1
SCHEMBL6889562 0.88 TDP1 (0.39) TDP1CA14MAOAMAOBMEN1
SCHEMBL3293190 0.86 CA14 (0.36) TDP1CA14MAOAMAOBMEN1
SCHEMBL3287433 0.86 CA14 (0.38) TDP1CA14MAOAMAOBMEN1
SCHEMBL13327085 0.85 TDP1 (0.46) TDP1CA14MAOAMAOBMEN1
SCHEMBL3290841 0.84 CA14 (0.36) TDP1CA14MAOAMAOBMEN1
SCHEMBL16349523 0.82 CA14 (0.50) TDP1CA14MAOAMAOBMEN1
SCHEMBL7270004 0.81 CA14 (0.58) TDP1CA14MAOAMAOBMEN1
SCHEMBL7264039 0.81 CA14 (0.58) TDP1CA14MAOAMAOBMEN1
SCHEMBL19340291 0.80 CA14 (0.57) TDP1CA14MAOAMAOBMEN1

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
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
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