SCHEMBL14621237

SCHEMBL14621237

COC(C(O)CO)C(O)C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
OR51E2 Q9H255 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
PGD P52209 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGFBR1 P36897 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL20557370 1.00 PDE4A (0.57) PDE4ATSHRCYP2C9LMNAUSP2
SCHEMBL22806523 0.90 PDE4A (0.50) PDE4ATSHRCYP2C9LMNAUSP2
SCHEMBL21617331 0.84 PDE4A (0.57) PDE4ATSHRCYP2C9LMNAUSP2
SCHEMBL22806520 0.82 PDE4A (0.55) PDE4ATSHRCYP2C9LMNAUSP2
SCHEMBL23581426 0.81 SLC1A3 (0.39) PDE4ALMNAUSP2SLCO1B1OR51E2
SCHEMBL28199325 0.81 PDE4A (0.35) PDE4ALMNAMGAMSIL3MBTL1
SCHEMBL22688963 0.81 TSHR (0.43) PDE4ATSHRCYP2C9PGDALDH1A1
SCHEMBL29455702 0.81 TSHR (0.43) PDE4ATSHRCYP2C9PGDALDH1A1
SCHEMBL10146952 0.79 TSHR (0.41) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL19741472 0.78 LMNA (0.50) PDE4ALMNAUSP2SLCO1B1MGAM

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-1536838-B1 Hyposensibilisation by hydroxyalkyl starch allergen conjugates FRESENIUS KABI DE GMBH (DE) 2007-01-31 EP disclosed