SCHEMBL9654358

SCHEMBL9654358

CN(C)C(=O)COC(=O)[C@H]1CC[C@H](CN)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL9654364 1.00 PLG (0.46) PLGPLATLMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL10621242 0.98 PLG (0.44) PLGPLATLMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL10621245 0.98 PLG (0.44) PLGPLATLMNAMAPTKDM4E
SCHEMBL5789042 0.81 PLG (0.53) PLGPLATLMNAMAPTF2
SCHEMBL688602 0.81 PLG (0.53) PLGPLATLMNAMAPTF2
Hydrochloric Acid SCHEMBL11075182 0.80 PLG (0.52) PLGPLATLMNAMAPTF2
Hydrochloric Acid SCHEMBL1068668 0.80 PLG (0.52) PLGPLATLMNAMAPTF2
SCHEMBL13601550 0.77 KDM4E (0.44) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL23254519 0.76 PLG (0.52) PLGPLATLMNAMAPTF2
Hydrochloric Acid SCHEMBL10977829 0.75 PLG (0.55) PLGPLATLMNAMAPTF2

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-0278977-B1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS Bundgaard, Hans (DK) 1992-05-06 EP disclosed