SCHEMBL15640903

SCHEMBL15640903

C[C@H](C[C@](C)(C(=O)O)N(C)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL1903549 0.79 MEN1 (0.40) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL22164450 0.78 HDAC6 (0.34) HDAC1HDAC2HDAC6
SCHEMBL10593995 0.77 GABRR1 (0.35) HDAC1HDAC2HDAC6
SCHEMBL10594008 0.77 GABRR1 (0.35) HDAC1HDAC2HDAC6
SCHEMBL7398555 0.76 HMGCR (0.40) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL15156589 0.76 HMGCR (0.40) MEN1GAAKMT2AHDAC1HDAC2
SCHEMBL7395136 0.73 HDAC6 (0.33) HDAC1HDAC2HDAC6
SCHEMBL30631300 0.73 AAK1 (0.33) HDAC1HDAC2HDAC6
SCHEMBL30631301 0.73 AAK1 (0.33) HDAC1HDAC2HDAC6
SCHEMBL30475222 0.73 NAALAD2 (0.41) MEN1KMT2AHDAC1HDAC2HDAC6

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
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed