SCHEMBL8617508

SCHEMBL8617508

CC(C)(CCCOc1cccc(CCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.51
PPARG P37231 3/20 0.44
KCNH2 Q12809 3/20 0.43
FFAR1 O14842 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
LTB4R Q15722 1/20 0.41

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
SCHEMBL8049917 0.91 PPARA (0.51) PPARAPPARGKCNH2FFAR1TTR
SCHEMBL8620438 0.88 PPARA (0.48) PPARAPPARGKCNH2TTRCYP1A2
SCHEMBL8624144 0.81 PPARA (0.54) PPARAPPARGFFAR1TTRCYP1A2
SCHEMBL11088495 0.79 PPARA (0.72) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8052016 0.78 PPARA (0.60) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8619033 0.78 PPARA (0.54) PPARAPPARG
SCHEMBL8049899 0.77 PPARA (0.50) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8621210 0.77 PPARA (0.48) PPARAPPARGKCNH2TTRCYP1A2
SCHEMBL8039541 0.76 PPARA (0.49) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8050813 0.75 PPARA (0.46) PPARAPPARGKCNH2FFAR1TTR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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