SCHEMBL13792124

SCHEMBL13792124

COc1ccc(CCCC2NC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NPBWR1 P48145 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SOAT1 P35610 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CXCR4 P61073 1/20 0.40
FAAH O00519 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL13793062 0.89 ALDH1A1 (0.54) L3MBTL1ALDH1A1MEN1KMT2ASOAT1
SCHEMBL13793023 0.86 KCNA5 (0.43) NPBWR1ALDH1A1MEN1KMT2ASOAT1
SCHEMBL13792763 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1MEN1KMT2ASOAT1
SCHEMBL13792818 0.85 TP53 (0.53) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13793156 0.85 TNF (0.47) L3MBTL1ALDH1A1MEN1KMT2ASOAT1
SCHEMBL13792166 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACXCR4
SCHEMBL6361058 0.84 PPARA (0.47) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13793064 0.84 CMA1 (0.47) ALDH1A1MEN1KMT2ASOAT1CXCR4
SCHEMBL3996653 0.84 CMA1 (0.47) L3MBTL1ALDH1A1MEN1KMT2ACXCR4
SCHEMBL13792788 0.83 CMA1 (0.44) NPBWR1ALDH1A1MEN1KMT2ASOAT1

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