SCHEMBL7559437

SCHEMBL7559437

NC(=O)CCCCCCCOc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
PRMT1 Q99873 3/20 0.44
F2 P00734 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
PLAU P00749 1/20 0.44
GAA P10253 1/20 0.44
PRMT5 O14744 1/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
TMPRSS2 O15393 1/20 0.44
PTP4A3 O75365 1/20 0.44
SLC22A3 O75751 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
S100B P04271 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL6993806 0.93 L3MBTL1 (0.43) PRMT1F2ST14PLAUTMPRSS2
SCHEMBL1148129 0.89 L3MBTL1 (0.42) PRSS1
SCHEMBL7554944 0.86 PPARA (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL27734552 0.84 PPARA (0.58) HDAC1HDAC2GAAHDAC3HDAC4
SCHEMBL7773663 0.81 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7768493 0.81 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5544236 0.81 HDAC1 (0.47) HDAC1HDAC2GAAHDAC3HDAC4
SCHEMBL6849706 0.79 KCNA3 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5542764 0.79 TSHR (0.45) HDAC1HDAC2GAAHDAC3HDAC4
SCHEMBL5803799 0.78 PPARA (0.51)

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
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed