SCHEMBL14420909

SCHEMBL14420909

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.40
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.34
POLB P06746 3/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL780067 0.81 KDM4E (0.62) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL32688802 0.73 LMNA (0.41) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL32689204 0.73 KDM4E (0.55) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5360974 0.72 KDM4E (0.69) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL24736660 0.72 KDM4E (0.41) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5349832 0.71 KDM4E (0.62) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL14221813 0.71 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL24213868 0.70 KDM4E (1.00) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL13233317 0.70 KDM4E (0.56) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL14822849 0.69 KDM4E (0.59) 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-20070211126-A1 Inkjet ink set E. I. DU PONT DE NEMOURS AND COMPANY 2007-09-13 US disclosed