SCHEMBL16709846

SCHEMBL16709846

CC(C)(C)OC(=O)C[N+](C)(C)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP17A1 P05093 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
KAT6A Q92794 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 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
SCHEMBL16709841 0.82 HDAC1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29029431 0.79 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16709842 0.79 ADRB2 (0.36)
SCHEMBL694262 0.76 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29991279 0.75 MAPT (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31139332 0.75 PDK1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1858721 0.75 PDK1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1985668 0.75 MAPT (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8711740 0.75 AURKA (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23592977 0.75 AURKA (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6

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-20150133609-A1 NON-FOULING CONDUCTING POLYMERS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-14 US disclosed