SCHEMBL5079896

SCHEMBL5079896

CCC(C)CC(=O)[O-].CCC(C)CC(=O)[O-].[Mg+2]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.40
SLC22A16 Q86VW1 1/20 0.39
CA1 P00915 3/20 0.39
FFAR3 O14843 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
CTSL P07711 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL28577685 0.95
SCHEMBL11112367 0.86 CA2 (0.60) CA2CA4SLC22A16CA1FFAR3
SCHEMBL10902049 0.80 CA2 (0.68) CA2CA4SLC22A16CA1FFAR3
SCHEMBL3911447 0.80 CA2 (0.60) CA2CA4SLC22A16CA1FFAR3
SCHEMBL11112756 0.80 CA2 (0.60) CA2CA4SLC22A16CA1FFAR3
SCHEMBL14109596 0.80 CA2 (0.60) CA2CA4SLC22A16CA1FFAR3
Silver SCHEMBL6738236 0.80 CA2 (0.60) CA2CA4SLC22A16CA1FFAR3
SCHEMBL6739831 0.80 CA2 (0.60) CA2CA4SLC22A16CA1FFAR3
SCHEMBL15309768 0.80 CA2 (0.48) CA2CA4SLC22A16CA1FFAR3
Tetrabuthylammonium SCHEMBL21833984 0.80 SLC22A1 (0.44) CA2CA1CPT2CPT1A

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
EP-1745095-B1 POLYMER SHEETS AND METHODS OF CONTROLLING ADHESION OF POLYMER SHEETS TO GLASS SOLUTIA INC (US) 2008-12-24 EP disclosed