SCHEMBL11112367

SCHEMBL11112367

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

nearest known ligand 0.60

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 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.60
CA4 P22748 3/20 0.46
SLC22A16 Q86VW1 1/20 0.44
CA1 P00915 2/20 0.43
CTSL P07711 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
BBOX1 O75936 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL14109596 0.94 CA2 (0.60) CA2CA4SLC22A16CA1CTSL
SCHEMBL11112756 0.94 CA2 (0.60) CA2CA4SLC22A16CA1CTSL
SCHEMBL3911447 0.94 CA2 (0.60) CA2CA4SLC22A16CA1CTSL
SCHEMBL10902049 0.94 CA2 (0.68) CA2CA4SLC22A16CA1CTSL
Silver SCHEMBL6738236 0.94 CA2 (0.60) CA2CA4SLC22A16CA1CTSL
SCHEMBL6739831 0.94 CA2 (0.60) CA2CA4SLC22A16CA1CTSL
SCHEMBL5079896 0.86 CA2 (0.52) CA2CA4SLC22A16CA1CTSL
SCHEMBL15309768 0.82 CA2 (0.48) CA2CA4SLC22A16CA1BBOX1
3-Methylbutanoic Acid SCHEMBL2430864 0.81 CA2 (0.88) CA2CA4SLC22A16CA1CTSL
Lithium Ion SCHEMBL11691728 0.80

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-0101945-A1 Multilayer analytical element FUJI PHOTO FILM CO., LTD. (JP) 1984-03-07 EP disclosed