SCHEMBL13792199

SCHEMBL13792199

COc1ccc(CCCC2NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
TNF P01375 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CXCR4 P61073 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.42
RGS4 P49798 1/20 0.42
RGS8 P57771 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3996653 0.89 CMA1 (0.47) CMA1GSK3AGSK3BSMN1; SMN2CXCR4
SCHEMBL13793064 0.89 CMA1 (0.47) CMA1GSK3AGSK3BSMN1; SMN2CXCR4
SCHEMBL13793062 0.89 ALDH1A1 (0.54) CMA1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13793156 0.88 TNF (0.47) CMA1GSK3AGSK3BTNFCXCR4
SCHEMBL13792755 0.86 CMA1 (0.44) CMA1GSK3AGSK3BCXCR4ALDH1A1
SCHEMBL13792788 0.86 CMA1 (0.44) CMA1GSK3AGSK3BSMN1; SMN2CXCR4
SCHEMBL13792166 0.85 ALDH1A1 (0.45) CMA1GSK3AGSK3BCXCR4ALDH1A1
SCHEMBL13793023 0.84 KCNA5 (0.43) CMA1GSK3AGSK3BSMN1; SMN2CXCR4
SCHEMBL13792818 0.84 TP53 (0.53) CMA1CXCR4TP53ALDH1A1MEN1
SCHEMBL13792825 0.84 HSP90AA1 (0.42) CMA1GSK3AGSK3BCXCR4ALDH1A1

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
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed