SCHEMBL27504945

SCHEMBL27504945

CCC(=O)OC(=O)OCC1CCCC1c1ccc(Br)cc1.[MgH2]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ GRIA4 P48058 2/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL27480883 0.90 HDAC8 (0.51) HDAC8HDAC6HDAC1GRIA4GRIA2
SCHEMBL27466722 0.77 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL27466732 0.71 HDAC8 (0.41) HDAC8HDAC6HDAC1SLC6A3SLC6A4
SCHEMBL27466731 0.71 HDAC8 (0.40) HDAC8HDAC6HDAC1SLC6A3SLC6A4
SCHEMBL27506678 0.70 MAOB (0.47) LMNACHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL27482758 0.68 MDM2 (0.41) HDAC8HDAC6HDAC1ALDH1A1SLC6A3
SCHEMBL27483135 0.68 HDAC8 (0.41) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27515302 0.68 HDAC8 (0.41) HDAC8HDAC6HDAC1MAPTLMNA
SCHEMBL31195027 0.64 HDAC8 (0.39) HDAC8HDAC6HDAC1GRIA4GRIA2
SCHEMBL31195005 0.64 HDAC8 (0.39) HDAC8HDAC6HDAC1GRIA4GRIA2

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
Send feedback