SCHEMBL10033458

SCHEMBL10033458

CC(=O)NCCNC(=O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ADRA1A P35348 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PAOX Q6QHF9 3/20 0.41
ECE1 P42892 1/20 0.41
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F13A1 P00488 1/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36

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
SCHEMBL12036660 0.87 LDHA (0.50) KDM4ETSHRALDH1A1ECE1LDHA
SCHEMBL10033437 0.85 PHF8 (0.46) KDM4EADRA1AMAPK1HIF1AALDH1A1
SCHEMBL18250681 0.83 ADRA1A (0.59) KDM4EADRA1AMAPK1HIF1ATSHR
SCHEMBL12799430 0.82 KDM4E (0.52) KDM4EADRA1AMAPK1HIF1ATSHR
SCHEMBL8107 0.81 KDM4E (0.71) KDM4EADRA1AMAPK1HIF1ATSHR
SCHEMBL16687527 0.80 ECE1 (0.41) KDM4EALDH1A1ECE1LDHASRR
SCHEMBL26202990 0.80 ADRA1A (0.40) KDM4EADRA1AMAPK1HIF1ATSHR
SCHEMBL15601857 0.77 MCL1 (0.52) ECE1LDHASRRMEN1KMT2A
SCHEMBL357314 0.77 MEN1 (0.64) KDM4EADRA1AMAPK1HIF1ATSHR
SCHEMBL10488313 0.77 KDM4E (0.52) KDM4EADRA1AMAPK1HIF1ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8702223-B2 Infrared-absorbing radiation-curable inks XEROX CORPORATION (US) 2014-04-22 US disclosed
US-20120236065-A1 Magnetic Curable Inks XEROX CORPORATION (US) 2012-09-20 US disclosed
US-20120162333-A1 Infrared-Absorbing Radiation-Curable Inks XEROX CORPORATION (US) 2012-06-28 US disclosed