SCHEMBL1362531

SCHEMBL1362531

CC(C)(C)O[Al+2].CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
FFAR3 O14843 3/20 0.44
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CA1 P00915 1/20 0.35
CA4 P22748 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CTSD P07339 1/20 0.31
BBOX1 O75936 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL30238343 0.86 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL30238023 0.86 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1360832 0.85 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL30439860 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29767033 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28357980 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29767094 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL29900864 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1361919 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1361270 0.83 FFAR3 (0.40) HDAC3HDAC1HDAC2HDAC8FFAR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450411-B2 Curable composition having a silane-modified reactive thinner HENKEL AG & CO. KGAA (DE) 2013-05-28 US disclosed
US-20120108730-A1 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER HENKEL AG & CO. KGAA (DE) 2012-05-03 US disclosed
US-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed