SCHEMBL5050644

SCHEMBL5050644

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.60
USP2 O75604 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 2/20 0.46
ABCB11 O95342 1/20 0.46
F2 P00734 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
Succimer SCHEMBL9556960 0.83 PDE4A (0.76) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Mannitol SCHEMBL30410531 0.79 LMNA (0.73) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Mannitol SCHEMBL27844169 0.79 LMNA (0.73) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Sorbitol SCHEMBL31013480 0.79 LMNA (0.73) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Sorbitol SCHEMBL30537316 0.77 PDE4A (0.85) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Mannitol SCHEMBL19951549 0.77 PDE4A (0.85) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Sorbitol SCHEMBL30537309 0.77 PDE4A (0.85) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Mannitol SCHEMBL19951541 0.76 LMNA (0.69) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Galactitol SCHEMBL31441250 0.76 LMNA (0.69) PDE4AUSP2SLCO1B1LMNAL3MBTL1
Mannitol SCHEMBL31441251 0.76 LMNA (0.69) PDE4AUSP2SLCO1B1LMNAL3MBTL1

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-1952919-A2 Magnetic nanoparticles and aqueous colloid composition containing the same Fujifilm Corporation (JP) 2008-08-06 EP disclosed