SCHEMBL11329795

SCHEMBL11329795

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
KCNH3 Q9ULD8 1/20 0.40
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
NAAA Q02083 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.37
DNM1 Q05193 1/20 0.37
GHSR Q92847 1/20 0.37
EPHX2 P34913 1/20 0.37

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 0.91 GAA (0.44) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL28944006 0.91 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL23633882 0.83 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL7174301 0.83 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL9146997 0.83 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1454049 0.83 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL29024596 0.81 GAA (0.45) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1454677 0.81 GAA (0.47) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL23819890 0.80 GAA (0.44) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL25857253 0.79 GAA (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4292196-A Catalyst recovery UOP INC. (US) 1981-09-29 US disclosed