SCHEMBL28524074

SCHEMBL28524074

CCCCCCCCCCCCCCCCCC(=O)OCCCCNC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
HTR2C P28335 1/20 0.54
EPHX2 P34913 7/20 0.52
ACHE P22303 6/20 0.51
NAAA Q02083 1/20 0.51
DNM1 Q05193 1/20 0.51

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
SCHEMBL7890288 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3HTR2C
SCHEMBL7900150 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3HTR2C
SCHEMBL7901914 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3HTR2C
SCHEMBL7724543 0.86 L3MBTL1 (0.65) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL8095963 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL20903685 0.86 L3MBTL1 (0.65) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL9367499 0.86 ACHE (0.72) DGKAEPHX2ACHE
SCHEMBL7890281 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3HTR2C
SCHEMBL7890286 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3HTR2C
SCHEMBL7901780 0.86 DGKA (0.62) DGKAPRSS1PRSS2PRSS3HTR2C

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-106867466-B Method for synthesizing inorganic phase change energy storage material by using fly ash and hydrated inorganic salt 北京科技大学 2021-02-12 CN disclosed