SCHEMBL8631802

SCHEMBL8631802

CCCC(=O)C(C(=O)[O-])(C(C)C)C(C)C.CCCC(=O)C(C(=O)[O-])(C(C)C)C(C)C.CCCC(=O)C(C(=O)[O-])(C(C)C)C(C)C.[Al+3]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
FFAR3 O14843 3/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HDAC6 Q9UBN7 1/20 0.33
CA1 P00915 5/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CTSD P07339 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL18152013 0.77 CA1 (0.33) CA1TSHRALDH1A1
SCHEMBL4882058 0.73 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL10823816 0.72 CA2 (0.44) CA1ALDH1A1
SCHEMBL21268867 0.71 CA1 (0.33) CA1TSHRALDH1A1
Lithium Ion SCHEMBL21269967 0.71 CA1 (0.33) CA1TSHRALDH1A1
SCHEMBL21269567 0.71 CA1 (0.33) CA1TSHRALDH1A1
SCHEMBL21269991 0.71 CA1 (0.33) CA1TSHRALDH1A1
Potassium Ion SCHEMBL21268954 0.71 CA4 (0.37) CA1TSHRALDH1A1
SCHEMBL21269234 0.71 CA2 (0.39) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL207036 0.71 FFAR3 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5805973-A Coated articles and method for the prevention of fuel thermal degradation deposits GENERAL ELECTRIC COMPANY (US) 1998-09-08 US claimed