SCHEMBL16349573

SCHEMBL16349573

CC(C)(C)OC(=O)NCCCN(CCCCN(C(=O)OC(C)(C)C)C(CCCCCCN)N(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL13327073 0.93 TDP1 (0.49) CA14TDP1MEN1KMT2AGAA
SCHEMBL7631999 0.88 CA14 (0.62) CA14TDP1MEN1KMT2AGAA
SCHEMBL16349523 0.87 CA14 (0.50) CA14TDP1MEN1KMT2AGAA
SCHEMBL3472122 0.86 CA14 (0.62) CA14TDP1MEN1KMT2AGAA
SCHEMBL7264039 0.86 CA14 (0.58) CA14TDP1MEN1KMT2AGAA
SCHEMBL7270004 0.86 CA14 (0.58) CA14TDP1MEN1KMT2AGAA
SCHEMBL19340291 0.84 CA14 (0.57) CA14TDP1MEN1KMT2AGAA
SCHEMBL10181287 0.84 CA14 (0.53) CA14TDP1MEN1KMT2AGAA
SCHEMBL1919913 0.84 CA14 (0.60) CA14TDP1MEN1KMT2AGAA
SCHEMBL4370840 0.84 CA14 (0.59) CA14TDP1MEN1KMT2AGAA

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-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed