SCHEMBL8203498

SCHEMBL8203498

C=C(NO)c1cnc(N2CCC(NCc3ccc(CN[C@@H](CC(C)C)C(=C)OC4CCCC4)cc3)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 4/20 0.35
HDAC6 Q9UBN7 9/20 0.35
HDAC1 Q13547 9/20 0.35
HDAC3 O15379 8/20 0.35
HDAC4 P56524 8/20 0.35
HDAC7 Q8WUI4 8/20 0.35
HDAC2 Q92769 8/20 0.35
HDAC10 Q969S8 8/20 0.35
HDAC11 Q96DB2 8/20 0.35
HDAC8 Q9BY41 8/20 0.35
HDAC9 Q9UKV0 8/20 0.35
HDAC5 Q9UQL6 8/20 0.35
KDM1A O60341 1/20 0.33
ACACB O00763 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL8204490 0.84 HDAC6 (0.37) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL3772993 0.84 HDAC1 (0.45) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL3773002 0.84 HDAC1 (0.45) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL8205770 0.82 DGAT2 (0.43) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL3780797 0.78 HDAC3 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8194298 0.76 DGAT2 (0.35) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL8203640 0.76 DGAT2 (0.39) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL15906826 0.74 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL13007259 0.74 HDAC6 (0.46) DGAT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL13007264 0.72 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7

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-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed