SCHEMBL8617700

SCHEMBL8617700

Cc1cc(SCCCc2ccc(OCCCC(C)(C)C(=O)O)cc2)c(C)c(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.47
PPARG P37231 6/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
PPARD Q03181 2/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL8622750 0.93 PPARA (0.51) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8050813 0.85 PPARA (0.46) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8051214 0.83 PPARA (0.51) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8616686 0.81 PPARA (0.51) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8039541 0.81 PPARA (0.49) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8617631 0.77 PPARA (0.56) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8768129 0.77 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL8049899 0.75 PPARA (0.50) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8624144 0.74 PPARA (0.54) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10687273 0.74 PPARA (0.63) PPARAPPARG

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