SCHEMBL11089771

SCHEMBL11089771

COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.52
FDPS P14324 2/20 0.45
HCRTR2 O43614 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 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
ADRA1A P35348 1/20 0.42
PPARG P37231 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

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
SCHEMBL11089623 0.88 PPARA (0.45) PPARAALDH1A1L3MBTL1MAPTTSHR
SCHEMBL11092123 0.88 PPARA (0.66) PPARAMAPTTSHRTTRCYP1A2
SCHEMBL11094347 0.86 PPARA (0.48) PPARAL3MBTL1TSHRTTRCYP1A2
SCHEMBL11092025 0.85 KDM4E (0.45) PPARAALDH1A1TSHRTTRCYP1A2
SCHEMBL11095134 0.85 PPARG (0.44) PPARATSHRTTRCYP1A2CYP2C8
SCHEMBL11095117 0.84 LMNA (0.44) PPARAL3MBTL1MAPT
SCHEMBL11092116 0.84 KDM4E (0.46) PPARAALDH1A1MAPTTSHRTTR
SCHEMBL11253558 0.83 HDAC8 (0.45) PPARAALDH1A1TSHRTTRCYP1A2
SCHEMBL11098273 0.82 PPARA (0.40) PPARAALDH1A1TSHRTTRCYP1A2
SCHEMBL11130558 0.82 PPARA (0.45) PPARAALDH1A1L3MBTL1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032063-B1 NOVEL SUBSTITUTED ARYLENE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-03-14 EP claimed
US-4351950-A Anti-arteriosclerotic agents WARNER-LAMBERT COMPANY (US) 1982-09-28 US claimed
EP-0032063-B1 NOVEL SUBSTITUTED ARYLENE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-03-14 EP disclosed
US-4351950-A Anti-arteriosclerotic agents WARNER-LAMBERT COMPANY (US) 1982-09-28 US disclosed
US-4338252-A BRONCHODILATORS, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1982-07-06 US disclosed