SCHEMBL14820527

SCHEMBL14820527

COC(=O)Cc1cccc(CCCC(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ CYP4F2 P78329 2/20 0.45
▸ CYP4A11 Q02928 2/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TLR7 Q9NYK1 4/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ PLAAT3 P53816 1/20 0.42
▸ PLAAT5 Q96KN8 1/20 0.42
▸ PLAAT2 Q9NWW9 1/20 0.42
▸ PLAAT4 Q9UL19 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1987047 0.85 SLC7A5 (0.63) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL4394735 0.85 SLC7A5 (0.62) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL18530377 0.85 SLC7A5 (0.56) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL1628160 0.84 CYP4A11 (0.57) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL14420121 0.84 SLC7A5 (0.55) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL4579913 0.84 SLC7A5 (0.58) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL28655132 0.84 SLC7A5 (0.57) SLC7A5ALDH1A1GAAGFERSIRT2
SCHEMBL12400239 0.83 SLC7A5 (0.68) SLC7A5ALDH1A1GAAGFERCYP4F2
SCHEMBL1630570 0.83 SLC7A5 (0.54) SLC7A5CYP4F2CYP4A11TLR7
SCHEMBL4577916 0.83 CYP4A11 (0.64) SLC7A5ALDH1A1GAAGFERCYP4F2

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-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 — — EP disclosed
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