SCHEMBL8050263

SCHEMBL8050263

CC(C)(CCCOc1ccc(CCO)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.65
PPARG P37231 6/20 0.50
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C8 P10632 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CISD1 Q9NZ45 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL11097170 0.87 PPARA (0.81) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10687273 0.87 PPARA (0.63) PPARAPPARGS1PR4S1PR1S1PR3
SCHEMBL8057272 0.87 PPARA (0.63) PPARAPPARGS1PR4S1PR1S1PR3
SCHEMBL10688594 0.85 PPARA (0.60) PPARAS1PR4S1PR1S1PR3S1PR5
SCHEMBL10686096 0.85 PPARA (0.60) PPARAS1PR4S1PR1S1PR3S1PR5
SCHEMBL8617055 0.83 CYP4F2 (0.52) PPARAS1PR4S1PR1S1PR3S1PR5
SCHEMBL9453304 0.83 PPARA (0.66) PPARAPPARGS1PR1S1PR3S1PR5
SCHEMBL11094600 0.83 PPARA (0.74) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11093079 0.82 PPARA (0.73) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10685541 0.81 PPARA (0.83) PPARAPPARGTTRCYP1A2CYP2C8

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
EP-0763527-B1 Substituted 2,2-dimethyl-omega-phenoxy alkanoic acids and esters, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-04-26 EP disclosed
EP-0763527-A1 Substituted 2,2-dimethyl-omega-phenoxy alkanoic acids and esters, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-03-19 EP disclosed