SCHEMBL11704397

SCHEMBL11704397

CCC(=O)CCc1c(C)c(OC(C)=O)c(C)c(C)c1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.30

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
SCHEMBL10383779 0.84 CA2 (0.35) CA2LMNAHTT
SCHEMBL8613208 0.83 CYSLTR2 (0.38)
SCHEMBL8611371 0.79 PPARA (0.39)
SCHEMBL11703549 0.74 MEN1 (0.34)
SCHEMBL11705121 0.74 NPC1 (0.42) LMNA
SCHEMBL9507056 0.73 LMNA (0.44) CA2LMNAHTT
SCHEMBL11458151 0.73
SCHEMBL11558269 0.72 ALDH1A1 (0.41) CA2LMNAHTTALOX5
SCHEMBL8843140 0.71 IMPDH2 (0.36) CA2
SCHEMBL11785689 0.71 IMPDH2 (0.38)

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-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 US disclosed