SCHEMBL28292733

SCHEMBL28292733

CCCCCCC(O)CCCCCCCCCCC(=O)OCCO.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.61
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
DUSP3 P51452 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
FFAR4 Q5NUL3 1/20 0.56
FFAR1 O14842 1/20 0.56
MAPT P10636 1/20 0.53
MGLL Q99685 1/20 0.52
DNM1 Q05193 1/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR84 Q9NQS5 1/20 0.49
LPAR6 P43657 1/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR4 Q99677 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
LPAR3 Q9UBY5 1/20 0.48

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
SCHEMBL6052685 0.98 DGKA (0.62) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL505106 0.98 DGKA (0.62) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL16800412 0.98 DGKA (0.62) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL6052723 0.98 DGKA (0.62) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL16830136 0.95 DGKA (0.58) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL7561059 0.92 DGKA (0.53) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL727225 0.92 DGKA (0.53) DGKALMNAKDM4EDUSP3MEN1
Propene SCHEMBL11588452 0.91 DGKA (0.54) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL3462028 0.91 DGKA (0.61) DGKALMNAKDM4EDUSP3MEN1
SCHEMBL750550 0.90 DGKA (0.75) DGKALMNAKDM4EDUSP3MEN1

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
CN-114470230-A Artemisinin water-soluble compound and preparation method and application thereof 中国科学院重庆绿色智能技术研究院 2022-05-13 CN disclosed
CN-104971049-B A kind of lyophilized preparation and preparation method thereof containing Fosaprepitant 石药集团中奇制药技术(石家庄)有限公司 2019-05-21 CN disclosed