SCHEMBL7040488

SCHEMBL7040488

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
NAAA Q02083 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
EPHX1 P07099 1/20 0.39
TSHR P16473 2/20 0.38
EPHX2 P34913 2/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7040489 0.94 NAAA (0.46) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1297329 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1297789 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1298157 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1297924 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1297888 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1298030 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL9107153 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1298149 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5
SCHEMBL1297325 0.84 PPARG (0.49) PPARGNAAACHRM2CHRM4CHRM5

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