SCHEMBL28301441

SCHEMBL28301441

CC(C)CCCCCOC(=O)CC(C(=O)OCCCCCC(C)C)C1CCCC(CCC(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 9/20 0.31

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
SCHEMBL28301430 0.85 MAPT (0.36) EPHX1CNR1CNR2MAPTMAPK1
SCHEMBL27603890 0.84 MAPT (0.39) EPHX1CNR1CNR2MAPTMAPK1
SCHEMBL27603898 0.83 NPSR1 (0.35) CNR1CNR2MAPTMAPK1NPSR1
SCHEMBL27603906 0.77 MAPT (0.33) CNR1CNR2MAPTMAPK1NPSR1
SCHEMBL28107687 0.75 MAPT (0.34) CNR1CNR2MAPTMAPK1NPSR1
SCHEMBL27622654 0.73 MAPT (0.38) EPHX1CNR1CNR2MAPTMAPK1
SCHEMBL27622671 0.73 MAPT (0.34) MAPTMAPK1NPSR1L3MBTL1
SCHEMBL27622675 0.72 ALDH1A1 (0.39) EPHX1CNR1CNR2MAPTMAPK1
SCHEMBL28342738 0.70 NPSR1 (0.53) MAPTMAPK1NPSR1L3MBTL1NAAA
SCHEMBL28453428 0.69 NAAA (0.44) MAPTMAPK1NPSR1L3MBTL1NAAA

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-109923170-A Concentrate composition and polypropylene resin composite comprising the concentrate composition 胜亚诺盟股份有限公司 2019-06-21 CN disclosed