SCHEMBL9709513

SCHEMBL9709513

C=CCC(CO)CCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSK P43235 2/20 0.32
APP P05067 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29864731 0.84 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9709476 0.83 USP2 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16077490 0.78 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9709605 0.77 GRIK1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10297782 0.72 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12341109 0.72 MEN1 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17344466 0.72 TSHR (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8723495 0.72 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16326514 0.71 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1101944 0.71 LMNA (0.42) 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
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed