SCHEMBL13065704

SCHEMBL13065704

C[C@]1(O)[C@H](OC(=O)c2ccccc2)OC(COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CES2 O00748 1/20 0.38

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
SCHEMBL13649108 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL21782410 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL5682469 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13184474 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL14853781 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL19326322 0.94 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13486944 0.94 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13672338 0.94 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL15095564 0.94 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13151549 0.94 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1

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
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 WO disclosed