SCHEMBL8616248

SCHEMBL8616248

CCOC(=O)C(C)(C)CCCOc1ccc(CCOc2cc(C)c(OC(C)=O)c(C)c2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.38
PPARA Q07869 8/20 0.38
PPARD Q03181 4/20 0.38
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
S1PR1 P21453 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL8050816 0.89 PPARA (0.48) PPARGPPARAPPARDTTRCYP1A2
SCHEMBL8924023 0.85 PPARA (0.46) PPARGPPARAPPARDCYP1A2TSHR
SCHEMBL8767488 0.78 PPARA (0.57) PPARGPPARAPPARD
SCHEMBL8617055 0.77 CYP4F2 (0.52) PPARASMN1; SMN2SLCO1B3SLCO1B1S1PR1
SCHEMBL8616686 0.76 PPARA (0.51) PPARGPPARAPPARDTTRCYP1A2
SCHEMBL8624692 0.76 PPARA (0.45) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL10459179 0.76 S1PR1 (0.46) PPARAS1PR1S1PR4S1PR3S1PR5
SCHEMBL10459075 0.72 L3MBTL1 (0.59) PPARACYP4F2CYP4A11
SCHEMBL8051214 0.72 PPARA (0.51) PPARGPPARAPPARDTTRCYP1A2
SCHEMBL5892307 0.70 PPARA (0.49) PPARACYP1A2TSHRSMN1; SMN2TDP1

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