SCHEMBL4459366

SCHEMBL4459366

CC(C)(CCCC(C)(C)C(=O)O)C(=O)O.[SrH2]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.60
ACACB O00763 1/20 0.58
ACACA Q13085 1/20 0.58
PPARA Q07869 8/20 0.44
TBXAS1 P24557 3/20 0.43
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA1A P35348 1/20 0.42
PPARG P37231 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
GUCY1A1 Q02108 1/20 0.41

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
SCHEMBL2784372 0.97 ACLY (0.62) ACLYACACBACACAPPARATBXAS1
Ammonia Solution, Strong SCHEMBL9181421 0.94 ACLY (0.60) ACLYACACBACACAPPARATBXAS1
SCHEMBL27363930 0.94 ACLY (0.60) ACLYACACBACACAPPARATBXAS1
SCHEMBL27588176 0.94 ACLY (0.60) ACLYACACBACACAPPARATBXAS1
SCHEMBL27359290 0.94 ACLY (0.60) ACLYACACBACACAPPARATBXAS1
SCHEMBL7222208 0.91 ACLY (0.70) ACLYACACBACACAPPARATBXAS1
SCHEMBL1908888 0.89 ACLY (0.56) ACLYACACBACACAPPARATBXAS1
SCHEMBL1832600 0.88 ACLY (0.74) ACLYACACBACACAPPARATBXAS1
SCHEMBL4190226 0.88 ACLY (0.74) ACLYACACBACACAPPARATBXAS1
SCHEMBL20474799 0.88 ACLY (0.74) ACLYACACBACACAPPARATBXAS1

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-20090167164-A1 GAS BARRIER FILM, RESIN BASE FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME, AND METHOD FOR PRODUCING GAS BARRIER FILM KONICA MINOLTA HOLDINGS, INC. (JP) 2009-07-02 US disclosed