SCHEMBL3340756

SCHEMBL3340756

CCCC(=CN(C(C)C)C(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
GRIK1 P39086 7/20 0.33
GRIK2 Q13002 4/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32
GRIA1 P42261 1/20 0.32
APEX1 P27695 1/20 0.30
TSHR P16473 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
SCHEMBL876069 0.77 HDAC3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3342552 0.75 HDAC3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL25053314 0.73 FFAR3 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11200848 0.72
SCHEMBL9651132 0.71 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL811789 0.71
SCHEMBL3454709 0.71
SCHEMBL8755479 0.71 AKR1B1 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10713198 0.69
SCHEMBL2333734 0.69

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-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed