SCHEMBL7987844

SCHEMBL7987844

CC1(C)O[C@H]2O[C@H]3[C@H](OC(c4ccccc4)O[C@H]3CO)[C@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GLB1 P16278 1/20 0.41
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL18121287 1.00 ALDH1A1 (0.44) ALDH1A1GLB1TXNRD1TXNRD3TXNRD2
SCHEMBL20033544 1.00 ALDH1A1 (0.44) ALDH1A1GLB1TXNRD1TXNRD3TXNRD2
SCHEMBL7150901 1.00 ALDH1A1 (0.44) ALDH1A1GLB1TXNRD1TXNRD3TXNRD2
SCHEMBL19987642 1.00 ALDH1A1 (0.44) ALDH1A1GLB1TXNRD1TXNRD3TXNRD2
SCHEMBL31571169 1.00 ALDH1A1 (0.44) ALDH1A1GLB1TXNRD1TXNRD3TXNRD2
SCHEMBL7991319 1.00 ALDH1A1 (0.44) ALDH1A1GLB1TXNRD1TXNRD3TXNRD2
SCHEMBL7150801 0.88 ALDH1A1 (0.43) ALDH1A1GLB1HPGDMEN1POLB
SCHEMBL11301737 0.85 ALDH1A1 (0.48) ALDH1A1GLB1HPGDMEN1POLB
SCHEMBL18121282 0.85 ALDH1A1 (0.47) ALDH1A1GLB1HPGDMEN1POLB
SCHEMBL7154831 0.83 POLB (0.48) ALDH1A1TXNRD1TXNRD3TXNRD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294666-B1 3,5-O-BENZYLIDENE-1,2-O-ISOPROPYLIDENE-BETA-L-IDOFURANOSIDE, BY REACTING 3,5-O-BENZYLIDENE-1,2-O-ISOPROPYLIDENE-6-DEOXY-ALPHA-D-XYLO-HEX-5 -ENOFURANOSIDE WITH A HYDROBORATING REAGENT AND THEN HYDROGEN PEROXIDE IN BASIC AQUEOUS MEDIUM ACADEMIA SINICA (TW) 2001-09-25 US claimed
US-6294666-B1 3,5-O-BENZYLIDENE-1,2-O-ISOPROPYLIDENE-BETA-L-IDOFURANOSIDE, BY REACTING 3,5-O-BENZYLIDENE-1,2-O-ISOPROPYLIDENE-6-DEOXY-ALPHA-D-XYLO-HEX-5 -ENOFURANOSIDE WITH A HYDROBORATING REAGENT AND THEN HYDROGEN PEROXIDE IN BASIC AQUEOUS MEDIUM ACADEMIA SINICA (TW) 2001-09-25 US disclosed