SCHEMBL5795040

SCHEMBL5795040

CC(C)(CCCCI)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.57
ACACB O00763 1/20 0.55
ACACA Q13085 1/20 0.55
TBXAS1 P24557 4/20 0.42
PPARA Q07869 8/20 0.40
TDP1 Q9NUW8 2/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
CISD1 Q9NZ45 1/20 0.38

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
SCHEMBL4035472 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL27754242 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL7161723 0.98 ACLY (0.61) ACLYACACBACACATBXAS1PPARA
SCHEMBL3958577 0.93 ACLY (0.54) ACLYACACBACACATBXAS1PPARA
SCHEMBL2977206 0.88 ACLY (0.47) ACLYACACBACACAPPARATDP1
SCHEMBL7222208 0.87 ACLY (0.70) ACLYACACBACACATBXAS1PPARA
SCHEMBL4190226 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA
SCHEMBL1832600 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA
SCHEMBL20474799 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA
SCHEMBL1836313 0.85 ACLY (0.74) ACLYACACBACACATBXAS1PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522192-A Substituted imidazolone derivatives, preparation and uses GENFIT (FR) 2009-09-02 CN disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 WO disclosed