SCHEMBL8617696

SCHEMBL8617696

CC(C)(CCCOc1ccc(OCCCSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
TDP1 Q9NUW8 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
ADRA1A P35348 1/20 0.43
PPARG P37231 1/20 0.43
HTR2B P41595 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
CYP4F2 P78329 5/20 0.42
CYP4A11 Q02928 5/20 0.42
VCAM1 P19320 1/20 0.39
CPT1B Q92523 1/20 0.39

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
SCHEMBL8039541 0.92 PPARA (0.49) PPARATDP1TTRCYP1A2CYP2C8
SCHEMBL8049899 0.91 PPARA (0.50) PPARATDP1TTRCYP1A2CYP2C8
SCHEMBL8052016 0.86 PPARA (0.60) PPARATDP1TTRCYP1A2CYP2C8
SCHEMBL8620438 0.85 PPARA (0.48) PPARATDP1TTRCYP1A2CYP2C8
SCHEMBL9042293 0.83 PTPRC (0.44) PPARATDP1TSHRVCAM1CPT1B
SCHEMBL11095692 0.82 PPARA (0.65) PPARATDP1TTRCYP1A2CYP2C8
SCHEMBL8624144 0.81 PPARA (0.54) PPARATDP1TTRCYP1A2CYP2C8
SCHEMBL8619033 0.81 PPARA (0.54) PPARAPPARG
SCHEMBL8767310 0.80 PPARA (0.47) PPARAPPARG
SCHEMBL11097170 0.79 PPARA (0.81) PPARATDP1TTRCYP1A2CYP2C8

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