SCHEMBL5516992

SCHEMBL5516992

CCC(C)OC(=O)C1CCCC(C)C1C(=O)OC(C)CC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 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
SCHEMBL3345186 0.85 EPHX1 (0.44) EPHX1SMN1; SMN2
SCHEMBL1196855 0.83 EPHX1 (0.37) EPHX1
SCHEMBL5513339 0.81 TP53 (0.39) EPHX1
SCHEMBL1245721 0.80 EPHX1 (0.41) EPHX1
SCHEMBL5531045 0.80 SMN1; SMN2 (0.35) KMT2AMEN1EPHX1SMN1; SMN2
SCHEMBL5514791 0.76 TAAR1 (0.38)
SCHEMBL2991371 0.74 HPGD (0.41) KMT2ASMN1; SMN2HPGD
SCHEMBL10321883 0.74 HPGD (0.41) KMT2ASMN1; SMN2HPGD
SCHEMBL2984985 0.74 HPGD (0.41) KMT2ASMN1; SMN2HPGD
SCHEMBL14357853 0.74 EPHX2 (0.32) HPGD

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