SCHEMBL14029178

SCHEMBL14029178

CC(=O)NCCCCP(=O)(O)CP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
PAOX Q6QHF9 3/20 0.46
ADRA1A P35348 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BTN3A1 O00481 1/20 0.40
GLUL P15104 1/20 0.37
TSHR P16473 1/20 0.36
MMP2 P08253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
OTC P00480 1/20 0.34
S1PR2 O95136 2/20 0.34
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34

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
SCHEMBL14029174 0.86 KDM4E (0.43) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL17753882 0.84 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13239617 0.81 MEN1 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL13239581 0.79 S1PR2 (0.46) KDM4EMAPK1BTN3A1GLULMMP2
SCHEMBL7920076 0.78 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4759679 0.77 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13239626 0.76 ZDHHC20 (0.53) MAPK1CA12CA1CA2CA9
SCHEMBL860791 0.74 KDM4E (0.94) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13239603 0.74 S1PR2 (0.50) TSHRS1PR2S1PR4S1PR1S1PR3
SCHEMBL8198267 0.74 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A

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-7432277-B2 Phosphorus-containing macrocycles ARAID GENE THERAPEUTICS, INC. (US) 2008-10-07 US disclosed