SCHEMBL4303064

SCHEMBL4303064

CCCCC(C)(C)C(=O)O.[Sm]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
ACACB O00763 1/20 0.52
ACACA Q13085 1/20 0.52
PPARA Q07869 4/20 0.41
TBXAS1 P24557 2/20 0.40
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL249872 0.97 ACLY (0.56) ACLYACACBACACAPPARATBXAS1
Iodide SCHEMBL2220836 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
Hydrochloric Acid SCHEMBL5669467 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
SCHEMBL22396506 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
SCHEMBL6521284 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
Calcium SCHEMBL30004003 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
SCHEMBL4540511 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
SCHEMBL27513732 0.95 ACLY (0.54) ACLYACACBACACAPPARATBXAS1
SCHEMBL10445069 0.91 ACLY (0.50) ACLYACACBACACAPPARATBXAS1
SCHEMBL301865 0.90 ACLY (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090220829-A1 Solid Oxide Fuel Cell PIRELLI & C. S.P.A. (IT) 2009-09-03 US disclosed
EP-1702376-A1 SOLID OXIDE FUEL CELL Pirelli & C. S.p.A. (IT) 2006-09-20 EP disclosed
WO-2005064717-A1 SOLID OXIDE FUEL CELL PIRELLI & C. S.P.A. (IT) 2005-07-14 WO disclosed