SCHEMBL7040489

SCHEMBL7040489

CCCCCCOC(=O)C1CC2CC(C(=O)OCCCCCC)C1C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.42
PPARG P37231 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
EPHX2 P34913 2/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL7040488 0.94 PPARG (0.43) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1298335 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1297674 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1298010 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1296892 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1297331 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1297732 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1298148 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1297048 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2
SCHEMBL1297843 0.86 NAAA (0.55) NAAAEPHX1TSHRPPARGHCAR2

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
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed