SCHEMBL5519285

SCHEMBL5519285

CCC(C)OC(=O)C1CCC(C)CC1C(=O)OC(C)CC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.42
EPHX1 P07099 3/20 0.42
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 2/20 0.32
TP53 P04637 1/20 0.30
CYP19A1 P11511 2/20 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
SCHEMBL5513339 0.83 TP53 (0.39) EPHX1EPHX2TP53
SCHEMBL1196413 0.81 EPHX1 (0.47) TRPM8EPHX1GAATRPA1
SCHEMBL11172137 0.78 GAA (0.41) EPHX2GAA
SCHEMBL5523164 0.77 EPHX1 (0.41) TRPM8EPHX1TRPA1
SCHEMBL5514791 0.77 TAAR1 (0.38)
SCHEMBL3345186 0.77 EPHX1 (0.44) EPHX1TP53
SCHEMBL21097363 0.77 MAPT (0.31) EPHX2GAA
SCHEMBL21097362 0.77 MAPT (0.31) EPHX2GAA
SCHEMBL14175871 0.76 TP53 (0.36) GAATP53
SCHEMBL11763155 0.76 EPHX1 (0.55) TRPM8EPHX1TRPA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP disclosed