SCHEMBL28050461

SCHEMBL28050461

C#CCC(F)C(=O)OC(C)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL27927972 0.75 ACHE (0.31)
SCHEMBL27946049 0.75
SCHEMBL27927958 0.72 GAA (0.31) GAA
SCHEMBL15438677 0.71 NPC1 (0.46) POLBALDH1A1TSHRL3MBTL1GAA
SCHEMBL15438478 0.71 NPC1 (0.46) POLBALDH1A1TSHRL3MBTL1GAA
SCHEMBL15438471 0.66 POLB (0.56) POLBALDH1A1TSHRL3MBTL1GAA
SCHEMBL7395842 0.64 L3MBTL1 (0.50) POLBALDH1A1TSHRL3MBTL1MEN1
SCHEMBL18344486 0.64
SCHEMBL28050464 0.64 GAA (0.45) POLBALDH1A1TSHRL3MBTL1GAA
SCHEMBL18486488 0.64 L3MBTL1 (0.70) POLBALDH1A1TSHRL3MBTL1GAA

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
CN-103460495-B Nonaqueous electrolytic solution and employ the electric energy storage device of this nonaqueous electrolytic solution UBE INDUSTRIES, LTD. (JP) 2016-01-27 CN disclosed