SCHEMBL28944006

SCHEMBL28944006

CCCCCC(CC)(CC)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
EPHX1 P07099 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
NAAA Q02083 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
EGFR P00533 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
Iodide SCHEMBL29002288 0.96 GAA (0.44) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL11329795 0.91 GAA (0.47) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1454677 0.79 GAA (0.47) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL7174301 0.78 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1454049 0.78 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL23633882 0.78 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL9146997 0.78 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL25857253 0.78 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL29024596 0.76 GAA (0.45) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL23819890 0.75 GAA (0.44) GAAEPHX1ALDH1A1HTTKCNH3

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-109715765-B Amine salts of alkyl phosphates for use in lubricants 路博润公司 2022-09-30 CN disclosed
CN-109715766-B Alkyl phosphate amine salts for use in lubricants 路博润公司 2022-06-28 CN disclosed