SCHEMBL11095134

SCHEMBL11095134

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
FFAR1 O14842 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 12/20 0.43
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL11090427 0.86 PPARA (0.58) PPARGFFAR1PPARDPPARATTR
SCHEMBL11089771 0.85 PPARA (0.52) PPARGPPARATTRCYP1A2CYP2C8
SCHEMBL11094347 0.85 PPARA (0.48) PPARGPPARDPPARATTRCYP1A2
SCHEMBL11092025 0.84 KDM4E (0.45) PPARGPPARATTRCYP1A2CYP2C8
SCHEMBL11089623 0.84 PPARA (0.45) PPARGPPARATTRCYP1A2CYP2C8
SCHEMBL11095117 0.83 LMNA (0.44) PPARA
SCHEMBL11092116 0.83 KDM4E (0.46) PPARGPPARATTRCYP1A2CYP2C8
SCHEMBL11130558 0.81 PPARA (0.45) PPARGPPARATTRCYP1A2CYP2C8
SCHEMBL11098273 0.81 PPARA (0.40) PPARGPPARATTRCYP1A2CYP2C8
SCHEMBL11261827 0.80 ALDH1A1 (0.48) SMN1; SMN2

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