SCHEMBL11706641

SCHEMBL11706641

CN(C)CC(=O)C1CC2C=CC1C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.42
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 4/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL12798525 0.83 KDM4E (0.46) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL11706113 0.80 KDM4E (0.44) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL4741806 0.79 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL14581091 0.79 KDM4E (0.62) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL13346338 0.76 KDM4E (0.50) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL32689204 0.76 KDM4E (0.55) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5357666 0.76 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL11708853 0.76 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL14221813 0.75 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5358926 0.75 KDM4E (0.49) KDM4ELMNATHRBALDH1A1HPGD

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-4044054-A 2-Oxo-3-alkenyl dimethylamine CALGON CORPORATION (US) 1977-08-23 US disclosed