SCHEMBL11095192

SCHEMBL11095192

CC(C)(CCCOc1ccc(OCCCC(C)(C)C(=O)O)c(CO)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.57
PPARG P37231 4/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C8 P10632 1/20 0.54
CHRM1 P11229 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR2B P41595 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
LTB4R Q15722 2/20 0.43
PPARD Q03181 1/20 0.43
CYP4F2 P78329 2/20 0.43

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
SCHEMBL11095549 0.90 PPARA (0.54) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11090046 0.85 PPARA (0.59) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11094581 0.83 PPARA (0.64) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11092203 0.82 PPARA (0.58) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11090427 0.82 PPARA (0.58) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11093162 0.82 PPARA (0.59) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11092123 0.82 PPARA (0.66) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11090691 0.82 PPARA (0.61) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11097336 0.81 PPARA (0.57) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11097170 0.81 PPARA (0.81) PPARAPPARGTTRCYP1A2CYP2C8

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 6 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-A2 Novel substituted arylene compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1981-07-15 EP 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
EP-0032063-A2 Novel substituted arylene compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1981-07-15 EP disclosed