SCHEMBL13868638

SCHEMBL13868638

CNC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 2/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
SLC9A3 P48764 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL5713241 1.00 PDE4A (0.56) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL13359968 1.00 PDE4A (0.56) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL614427 1.00 PDE4A (0.56) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL14982786 1.00 PDE4A (0.56) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL13572033 1.00 PDE4A (0.56) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL16349763 1.00 PDE4A (0.56) PDE4ALMNAKDM4EL3MBTL1TDP1
Water SCHEMBL28832904 0.98 PDE4A (0.54) PDE4ALMNAKDM4EL3MBTL1TDP1
Ammonia Solution, Strong SCHEMBL27853962 0.98 PDE4A (0.54) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL3125161 0.93 KDM4E (0.46) PDE4ALMNAKDM4EL3MBTL1TDP1
SCHEMBL19233364 0.93 KDM4E (0.46) PDE4ALMNAKDM4EL3MBTL1TDP1

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-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed