SCHEMBL27630833

SCHEMBL27630833

CCC(=O)OCCOC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 3/20 0.39
DGKA P23743 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.32
DNM1 Q05193 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7568718 0.87 NAAA (0.61) NAAAALDH1A1DGKAGAAHTT
SCHEMBL8661878 0.84 NAAA (0.47) NAAAALDH1A1DGKAGAAHTT
SCHEMBL17471938 0.83 NAAA (0.45) NAAAALDH1A1DGKAGAAHTT
SCHEMBL27646117 0.83 DGKA (0.50) NAAAALDH1A1DGKABLMLMNA
SCHEMBL50301 0.83 NAAA (0.64) NAAAALDH1A1DGKAGAAHTT
SCHEMBL5918257 0.81 NAAA (0.41) NAAAALDH1A1GAAHTTCYP1A2
SCHEMBL8709489 0.81 LMNA (0.48) NAAAALDH1A1DGKAGAAHTT
SCHEMBL25812326 0.80 MMP1 (0.39) ALDH1A1DGKA
SCHEMBL8194855 0.80 ALDH1A1 (0.38) ALDH1A1DGKABLMADRA2AADRA1A
Water SCHEMBL28123302 0.80 NAAA (0.61) NAAAALDH1A1DGKAGAAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475810-C Novel 2-arylthiazole compounds as pparalpha and ppargamma agonists HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed
CN-1678596-A Novel 2-arylthiazole compounds as PPAR alpha and PPAR gamma agonists HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed