SCHEMBL5476282

SCHEMBL5476282

CCCCOCCOCCOC(CC)COC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
RARB P10826 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
LMNA P02545 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL5480471 0.90 ALDH1A1 (0.41) LPAR1LPAR3TSHRCYP3A4ALDH1A1
SCHEMBL5483693 0.87 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL5483734 0.86 LPAR1 (0.41) LPAR1LPAR3ALDH1A1TLR2LMNA
SCHEMBL12544461 0.85 LPAR1 (0.42) LPAR1LPAR3ALDH1A1TLR2LPAR2
SCHEMBL5483249 0.85 ABCB11 (0.31) CYP3A4
SCHEMBL12544472 0.84 LPAR1 (0.44) LPAR1LPAR3TSHRALDH1A1TLR2
SCHEMBL5486588 0.82 MAPT (0.38) TSHRCYP3A4RARBALDH1A1MAPT
SCHEMBL12544466 0.82 MAPT (0.38) TSHRCYP3A4RARBALDH1A1MAPT
SCHEMBL5476617 0.81 CA2 (0.40) LPAR1LPAR3TSHRCYP3A4ALDH1A1
SCHEMBL5487123 0.79 HCAR2 (0.40) LPAR1LPAR3TSHRCYP3A4RARB

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