SCHEMBL13792829

SCHEMBL13792829

CCCn1c(CCCc2ccc(OC)cc2)cn(Cc2ccc(C(C)C)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
GRM2 Q14416 1/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
NR3C1 P04150 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL13793172 0.89 CYP11B1 (0.40) CYP11B1CYP11B2PPARGPPARDPPARA
SCHEMBL13793121 0.88 PPARA (0.46) MAPTCYP11B1CYP11B2PPARGPPARD
SCHEMBL13792802 0.88 SIGMAR1 (0.44) MAPTTP53PPARGPPARDPPARA
SCHEMBL13792201 0.87 RGS4 (0.45) SMN1; SMN2MAPTCYP11B1CYP11B2GRM2
SCHEMBL13793100 0.87 ADORA3 (0.36) MAPTTP53PPARGPPARDPPARA
SCHEMBL13792168 0.87 PROKR1 (0.43) NPBWR1SMN1; SMN2MAPTTP53CYP11B1
SCHEMBL13793024 0.85 PPARA (0.44) SMN1; SMN2MAPTTP53CYP11B1CYP11B2
SCHEMBL13793077 0.85 MAPT (0.55) MAPTTP53PPARGPPARDPPARA
SCHEMBL6361810 0.85 PPARA (0.56) PPARGPPARDPPARA
SCHEMBL13793056 0.84 KMT2A (0.42) NPBWR1MAPTTP53PPARGPPARD

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