SCHEMBL8052016

SCHEMBL8052016

CC(C)(CCCOc1ccc(OCCCOc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.60
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
PPARG P37231 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
CYP4F2 P78329 5/20 0.43
CYP4A11 Q02928 5/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TNFRSF1A P19438 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
SCHEMBL8619033 0.91 PPARA (0.54) PPARAPPARG
SCHEMBL8624144 0.91 PPARA (0.54) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8617696 0.86 PPARA (0.54) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11097170 0.84 PPARA (0.81) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8049917 0.83 PPARA (0.51) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8049899 0.82 PPARA (0.50) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8039541 0.81 PPARA (0.49) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL9231464 0.81 PPARA (0.50) PPARAPPARGTNFRSF1A
SCHEMBL8959195 0.81 CA2 (0.61) CYP1A2CYP2C9TSHRSMN1; SMN2CA1
SCHEMBL10683274 0.80 PPARA (0.70) PPARATTRCYP1A2CYP2C8CHRM1

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 3 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 claimed
US-5734077-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, TREATMENT OF DIABETES AND ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 1998-03-31 US claimed
US-5734077-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, TREATMENT OF DIABETES AND ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 1998-03-31 US disclosed