SCHEMBL11095485

SCHEMBL11095485

Cc1cc(OCCCC(C)(C)C(=O)O)c(C)c(C)c1OCCCC(C)(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.62
CYP2C9 P11712 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TTR P02766 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C8 P10632 1/20 0.62
CHRM1 P11229 1/20 0.62
TSHR P16473 1/20 0.62
ADRA1A P35348 1/20 0.62
PPARG P37231 1/20 0.62
HTR2B P41595 1/20 0.62
SLCO1B3 Q9NPD5 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CISD1 Q9NZ45 1/20 0.62
SLCO1B1 Q9Y6L6 1/20 0.62
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41
LTB4R Q15722 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL11094778 0.89 PPARA (0.56) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL11095523 0.89 PPARA (0.56) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL9702012 0.88 PPARA (0.52) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL9702017 0.87 PPARA (0.55) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL11090319 0.86 PPARA (0.75) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL11091339 0.86 PPARA (0.56) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL21753587 0.86 PPARA (0.59) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL21753568 0.86 PPARA (0.52) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL10741482 0.86 PPARA (0.53) PPARACYP2C9SMN1; SMN2TTRCYP1A2
SCHEMBL11094196 0.86 PPARA (0.53) PPARACYP2C9SMN1; SMN2TTRCYP1A2

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
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