SCHEMBL13792802

SCHEMBL13792802

CCCn1c(CCCc2ccc(OC)cc2)cn(Cc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42
PROKR1 Q8TCW9 1/20 0.42
RGS4 P49798 1/20 0.42
RGS8 P57771 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.41
ASAH1 Q13510 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX4 Q99571 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
SCHEMBL13792790 0.92 SIGMAR1 (0.48) SIGMAR1PPARGPPARDPPARAPROKR1
SCHEMBL13793172 0.92 CYP11B1 (0.40) PPARGPPARDPPARAADORA3ADORA1
SCHEMBL13793121 0.91 PPARA (0.46) PPARGPPARDPPARAADORA3ADORA1
SCHEMBL13792697 0.91 RGS4 (0.48) SIGMAR1PPARAADORA3PROKR1RGS4
SCHEMBL13792201 0.90 RGS4 (0.45) PROKR1RGS4RGS8MAPTLMNA
SCHEMBL13793077 0.90 MAPT (0.55) PPARGPPARDPPARATP53MAPT
SCHEMBL13793056 0.89 KMT2A (0.42) SIGMAR1PPARGPPARDPPARAADORA3
SCHEMBL13793024 0.88 PPARA (0.44) PPARGPPARDPPARAADORA3ADORA1
SCHEMBL13792829 0.88 NPBWR1 (0.41) PPARGPPARDPPARAADORA3ADORA1
SCHEMBL13792168 0.87 PROKR1 (0.43) PPARGPPARDPPARAPROKR1TP53

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