SCHEMBL806270

SCHEMBL806270

CCC(=O)NCCCCCC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EPHX2 P34913 2/20 0.53
TDP1 Q9NUW8 1/20 0.47
CASP2 P42575 1/20 0.44
NAAA Q02083 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 2/20 0.40
RECQL P46063 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL540944 0.87 CASP2 (0.59) MEN1KMT2AEPHX2CASP2NAAA
SCHEMBL17751908 0.87 CASP2 (0.59) MEN1KMT2AEPHX2CASP2NAAA
SCHEMBL1709282 0.86 MEN1 (0.48) MEN1KMT2AEPHX2TDP1GAA
SCHEMBL24894495 0.86 CASP2 (0.57) EPHX2CASP2NAAAL3MBTL1FAAH
SCHEMBL20556419 0.84 EPHX2 (0.51) MEN1KMT2AEPHX2TDP1CASP2
SCHEMBL16863818 0.84 EPHX2 (0.51) MEN1KMT2AEPHX2TDP1CASP2
SCHEMBL29177627 0.83 EPHX2 (0.50) MEN1KMT2AEPHX2TDP1CASP2
SCHEMBL22473805 0.83 TDP1 (0.69) MEN1KMT2ATDP1CASP2MAOA
SCHEMBL30111127 0.83 EPHX2 (0.49) EPHX2TDP1CASP2L3MBTL1GAA
SCHEMBL25942884 0.83 TDP1 (0.69) MEN1KMT2AEPHX2TDP1MAOA

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
WO-2012037254-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed