SCHEMBL30647271

SCHEMBL30647271

CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].CCCC[Sn+2]CCCC.[Sn+4]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
FFAR3 O14843 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HAO1 Q9UJM8 1/20 0.39
CES2 O00748 6/20 0.37
CES1 P23141 6/20 0.37
FABP3 P05413 5/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL1229427 0.98 CA1 (0.43) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL29412000 0.89 HAO1 (0.52) CA1HAO1CES2CES1FABP3
Malonic Acid SCHEMBL4616181 0.84 CA4 (0.48) CA1FFAR3HDAC3HDAC1HDAC2
Butyric Acid SCHEMBL487046 0.82 FFAR3 (0.64) CA1FFAR3HDAC3HDAC1HDAC2
Acetoacetic Acid SCHEMBL30244954 0.81 CA1 (0.40) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL531757 0.80 CA1 (0.54) CA1FFAR3HDAC3HDAC1HDAC2
Succinic Acid SCHEMBL3977804 0.80 CA1 (0.58) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL21219168 0.80 HDAC3 (0.57) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL21219172 0.80 HDAC3 (0.57) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL49244 0.80 HDAC3 (0.57) CA1FFAR3HDAC3HDAC1HDAC2

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
CN-117106308-A Single-component dealcoholized high-temperature-resistant silicone rubber for household appliance industry and preparation method thereof 广东聚思新材料科技有限公司 2023-11-24 CN disclosed