SCHEMBL5202139

SCHEMBL5202139

CC(=O)O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 8/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL14477070 1.00 ALDH1A1 (0.46) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL15941628 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL15127529 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL13021367 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL15127199 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL2785432 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL13151552 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL2785437 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL13672336 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1
SCHEMBL15941626 0.90 ALDH1A1 (0.47) ALDH1A1TSHRPOLBGAAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819718-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF Sicor Inc. (US) 2007-08-22 EP claimed
WO-2006063105-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF SICOR INC. (US) 2006-06-15 WO claimed
EP-1819718-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF Sicor Inc. (US) 2007-08-22 EP disclosed
WO-2006063105-A1 DIFLUORONUCLEOSIDES AND PROCESS FOR PREPARATION THEREOF SICOR INC. (US) 2006-06-15 WO disclosed