SCHEMBL5033844

SCHEMBL5033844

CCN(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DGAT1 O75907 1/20 0.31
AKT1 P31749 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL12160052 0.89 HDAC6 (0.40) HDAC6HDAC1HDAC2HDAC3NCOR2
SCHEMBL4960467 0.83 HDAC6 (0.35) HDAC6HDAC1HDAC2HDAC3NCOR2
SCHEMBL23425907 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL3422429 0.81 DGAT1 (0.39) HDAC6HDAC1HDAC2HDAC3NCOR2
SCHEMBL4659197 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL27907268 0.80 CA12 (0.37) HDAC6HDAC1HDAC2HDAC3NCOR2
SCHEMBL3984281 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL19466128 0.79 CA14 (0.39) HDAC6HDAC1HDAC2HDAC3NCOR2
SCHEMBL27813326 0.79 BTK (0.38) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL3423603 0.78 CA14 (0.34) HDAC6HDAC1HDAC2CA14CA12

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
EP-1986609-A2 RNA SILENCING AGENTS FOR USE IN THERAPY AND NANOTRANSPORTERS FOR EFFICIENT DELIVERY OF SAME University of Massachusetts (US) 2008-11-05 EP disclosed
WO-2007089607-A2 RNA SILENCING AGENTS FOR USE IN THERAPY AND NANOTRANSPORTERS FOR EFFICIENT DELIVERY OF SAME UNIVERSITY OF MASSACHUSETTS (US) 2007-08-09 WO disclosed