SCHEMBL11094347

SCHEMBL11094347

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.48
PPARG P37231 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C8 P10632 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
CISD1 Q9NZ45 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
PPARD Q03181 5/20 0.47
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL11089771 0.86 PPARA (0.52) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11094581 0.86 PPARA (0.64) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11092852 0.86 PPARA (0.55) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11089623 0.85 PPARA (0.45) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11095134 0.85 PPARG (0.44) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11092025 0.85 KDM4E (0.45) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11092116 0.84 KDM4E (0.46) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11095117 0.84 LMNA (0.44) PPARAL3MBTL1
SCHEMBL11098273 0.82 PPARA (0.40) PPARAPPARGTDP1TTRCYP1A2
SCHEMBL11130558 0.82 PPARA (0.45) PPARAPPARGTDP1TTRCYP1A2

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 4 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