SCHEMBL11706113

SCHEMBL11706113

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.39
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30

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 0.90 KDM4E (0.46) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL13346339 0.82 LMNA (0.47) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL17165985 0.81 KDM4E (0.46) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL32688754 0.81 KDM4E (0.46) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL11706641 0.80 KDM4E (0.49) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL12326366 0.80 KDM4E (0.49) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL17165983 0.79 KDM4E (0.45) KDM4ELMNAEPHX2ALDH1A1KMT2A
SCHEMBL8852595 0.79 LMNA (0.47) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL13346338 0.78 KDM4E (0.50) KDM4ELMNATHRBEPHX2ALDH1A1
SCHEMBL14400824 0.78 LMNA (0.51) KDM4ELMNATHRBEPHX2ALDH1A1

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