SCHEMBL27466731

SCHEMBL27466731

CCC(=O)OCC1CCCC1c1ccc(C[SH](=O)=O)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ SLC6A4 P31645 7/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A3 Q01959 2/20 0.34

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
SCHEMBL27466733 0.87 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A4SLC6A3
SCHEMBL27504947 0.87 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A4SLC6A2
SCHEMBL27466732 0.80 HDAC8 (0.41) HDAC8HDAC6HDAC1SLC6A4SLC6A2
SCHEMBL27480883 0.79 HDAC8 (0.51) HDAC8HDAC6HDAC1SLC6A4SLC6A3
SCHEMBL27482760 0.77 HPGD (0.33) HDAC8HDAC6HDAC1SLC6A4SLC6A2
SCHEMBL27466722 0.74 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL27482758 0.73 MDM2 (0.41) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27504948 0.71 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A4SLC6A2
SCHEMBL27466734 0.71 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A4SLC6A3
SCHEMBL27504945 0.71 HDAC8 (0.47) HDAC8HDAC6HDAC1SLC6A4SLC6A3

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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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