SCHEMBL7212934

SCHEMBL7212934

CC(C)ON(c1ccccc1)[C@@H](C)C(=O)OP(N)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
LAP3 P28838 2/20 0.31
ANPEP P15144 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SRC P12931 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 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
SCHEMBL31343122 0.89 KDM4E (0.40) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL6553514 0.87 LAP3 (0.36) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL781267 0.86 KDM4E (0.38) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL20162518 0.86 KDM4E (0.38) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL7208511 0.82 LAP3 (0.39) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL6555636 0.82 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1LAP3LMNA
SCHEMBL5049712 0.75 KDM4E (0.38) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL22321965 0.73 KDM4E (0.36) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL382026 0.73 KDM4E (0.36) KDM4ETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL28173097 0.71 KDM4E (0.40) KDM4ETDP1CHRNB2CHRNB4CHRNA3

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
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed