SCHEMBL17874521

SCHEMBL17874521

CC(=O)NCCNCCNCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ ANPEP P15144 4/20 0.39
▸ RNPEP Q9H4A4 3/20 0.39
▸ DNPEP Q9ULA0 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ ADRA1A P35348 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ F13A1 P00488 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
SCHEMBL9973630 1.00 PAOX (0.45) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL800814 0.86 — —
SCHEMBL13398529 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL21089233 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL6130978 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL12407913 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL23419326 0.82 PAOX (0.43) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL20147848 0.80 ANPEP (0.41) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL14471288 0.80 KDM4E (0.46) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL12522545 0.78 PAOX (0.45) PAOXKDM4EMAPK1HIF1ATSHR

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-9376421-B2 Compounds and methods for myotonic dystrophy therapy THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-06-28 — — US disclosed
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