SCHEMBL7395136

SCHEMBL7395136

CN(C(=O)OC(C)(C)C)C(C)(CC=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 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
SCHEMBL7398042 0.85 L3MBTL1 (0.33) HDAC6HDAC1HDAC2
SCHEMBL22164450 0.80 HDAC6 (0.34) HDAC6HDAC1HDAC2
SCHEMBL7398555 0.79 HMGCR (0.40) HDAC6HDAC1HDAC2
SCHEMBL15156589 0.79 HMGCR (0.40) HDAC6HDAC1HDAC2
SCHEMBL30475222 0.76 NAALAD2 (0.41) HDAC6HDAC1HDAC2
SCHEMBL28846132 0.76 NAALAD2 (0.41) HDAC6HDAC1HDAC2
SCHEMBL15640903 0.73 MEN1 (0.31) HDAC6HDAC1HDAC2
SCHEMBL186289 0.71 HDAC6 (0.34) HDAC6HDAC1HDAC2
SCHEMBL25182230 0.71 L3MBTL1 (0.42) HDAC1HDAC2
SCHEMBL31522777 0.71 L3MBTL1 (0.42) HDAC1HDAC2

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
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed