SCHEMBL4729475

SCHEMBL4729475

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 1/20 0.60
FAAH O00519 2/20 0.55
PSMB11 A5LHX3 2/20 0.54
PSMA7 O14818 2/20 0.54
PSMB1 P20618 2/20 0.54
PSMA1 P25786 2/20 0.54
PSMA2 P25787 2/20 0.54
PSMA3 P25788 2/20 0.54
PSMA4 P25789 2/20 0.54
PSMB8 P28062 2/20 0.54
PSMB9 P28065 2/20 0.54
PSMA5 P28066 2/20 0.54
PSMB4 P28070 2/20 0.54
PSMB6 P28072 2/20 0.54
PSMB5 P28074 2/20 0.54
PSMB10 P40306 2/20 0.54
PSMB3 P49720 2/20 0.54

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
SCHEMBL7209036 0.90 MEN1 (0.69) POLBMEN1KMT2AGAAFAAH
SCHEMBL4725802 0.87 POLB (0.61) POLBMEN1KMT2AFAAHPSMB11
SCHEMBL7208720 0.87 MEN1 (0.72) POLBMEN1KMT2AGAAFAAH
SCHEMBL7345585 0.80 CACNA1B (0.68) POLBPSMB11PSMA7PSMB1PSMA1
SCHEMBL17514303 0.76 GAA (0.61) GAAPSMB11PSMA7PSMB1PSMA1
SCHEMBL7362108 0.75 FAAH (0.72) POLBMEN1KMT2AFAAHKCNH2
SCHEMBL24443103 0.75 POLB (0.69) POLBMEN1KMT2AFAAHKCNH2
SCHEMBL7339643 0.75 GAA (1.00) POLBMEN1KMT2AGAACTSS
SCHEMBL7339654 0.75 GAA (1.00) POLBMEN1KMT2AGAACTSS
SCHEMBL18396240 0.74 PSMB11 (0.65) POLBMEN1KMT2AGAAPSMB11

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed