SCHEMBL9876668

SCHEMBL9876668

CNC(=O)C(O)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PDE4A P27815 1/20 0.39
LMNA P02545 2/20 0.37
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 4/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.32
PGD P52209 1/20 0.31
MMP1 P03956 3/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 2/20 0.31
MMP20 O60882 1/20 0.31
ADAMTS4 O75173 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
SCHEMBL19233364 0.86 KDM4E (0.46) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL3125161 0.86 KDM4E (0.46) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL13868638 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL13359968 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL5713241 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL14982786 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL13572033 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL614427 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
SCHEMBL16349763 0.84 PDE4A (0.56) KDM4EPDE4ALMNAUSP2MEN1
Water SCHEMBL28832904 0.82 PDE4A (0.54) KDM4EPDE4ALMNAUSP2MEN1

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-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed