SCHEMBL13327229

SCHEMBL13327229

CCCC(C)CCC(=O)NCCCCCCC(CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CAPN1 P07384 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 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
SCHEMBL13327322 0.94 CA14 (0.38) CA14TDP1MEN1KMT2AGAA
SCHEMBL13327324 0.94 CA14 (0.38) CA14TDP1MEN1KMT2AGAA
SCHEMBL13327279 0.91 CA14 (0.43) CA14TDP1MEN1KMT2AGAA
SCHEMBL13327323 0.90 CA14 (0.38) CA14TDP1MEN1KMT2AGAA
SCHEMBL16349540 0.88 CA14 (0.38) CA14TDP1MEN1KMT2ADRD2
SCHEMBL13865384 0.87 TDP1 (0.45) CA14TDP1MEN1KMT2AGAA
SCHEMBL13327086 0.87 TDP1 (0.47) CA14TDP1MEN1KMT2AGAA
SCHEMBL13865394 0.85 CA14 (0.48) CA14TDP1MEN1KMT2AGAA
SCHEMBL13327343 0.83 CA14 (0.44) CA14TDP1MEN1KMT2AGAA
SCHEMBL13327079 0.82 TDP1 (0.60) 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 2 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-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed