SCHEMBL8747823

SCHEMBL8747823

CC(C)(C)CCC(=O)[O-].CC(C)(C)CCC(=O)[O-].CC(C)(C)CCC(=O)[O-].CC(C)(C)CCC(=O)[O-].[Ce+4]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
CA1 P00915 3/20 0.40
BBOX1 O75936 6/20 0.36
CA4 P22748 1/20 0.33

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
Silver SCHEMBL2683807 0.94 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL22396498 0.94 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL15253166 0.94 FFAR3 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL18321793 0.94 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11338572 0.94 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
Potassium Ion SCHEMBL2354560 0.94 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9709888 0.94 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
Tetramethylammonium Ion SCHEMBL2346843 0.90 BBOX1 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL18207952 0.90 FFAR3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Tetrylammonium SCHEMBL2352015 0.84 FFAR3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575189-B1 Organic cerium (IV) compounds and their preparation and use RHONE POULENC CHEMICALS (GB) 1997-03-12 EP disclosed
EP-0575189-A1 Organic cerium (IV) compounds and their preparation and use RHONE-POULENC CHEMICALS LIMITED (GB) 1993-12-22 EP disclosed