SCHEMBL9709476

SCHEMBL9709476

C=CCC(CCC(=O)OC(C)(C)C)COCCO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9709513 0.83 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25695825 0.73 MEN1 (0.32)
SCHEMBL14343063 0.72 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16077490 0.72 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28301050 0.71 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9709605 0.71 GRIK1 (0.41) USP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL898476 0.70 TSHR (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29864731 0.70 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31639984 0.70 MEN1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23274175 0.69 MEN1 (0.44) 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