SCHEMBL5486663

SCHEMBL5486663

CCOC(C)CCCOC(=O)OCCCC(C)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
FAAH O00519 5/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SOAT1 P35610 1/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
NAAA Q02083 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
EPHX2 P34913 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
SCHEMBL1470273 0.88 ALDH1A1 (0.44) ALDH1A1SOAT1LMNATSHR
SCHEMBL1471542 0.87 ALDH1A1 (0.44) ALDH1A1FAAHTDP1ATMLMNA
SCHEMBL5789741 0.86 ALDH1A1 (0.52) ALDH1A1FAAHTDP1MEN1KMT2A
SCHEMBL5475498 0.85 ALDH1A1 (0.41) ALDH1A1FAAHTDP1MEN1KMT2A
SCHEMBL1470031 0.84 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ASOAT1
SCHEMBL1471010 0.84 NAAA (0.46) ALDH1A1FAAHLMNANAAATSHR
SCHEMBL16213678 0.83 NAAA (0.36) ALDH1A1FAAHTDP1MEN1KMT2A
SCHEMBL1469644 0.80 CHRNB2 (0.36) ALDH1A1SOAT1LMNATSHR
SCHEMBL1469882 0.79 ALDH1A1 (0.44) ALDH1A1TDP1ATMLMNANAAA
SCHEMBL28896484 0.79 NAAA (0.53) FAAHNAAACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 EP disclosed