SCHEMBL16631560

SCHEMBL16631560

CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.56
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RNASE1 P07998 1/20 0.41
PPM1B O75688 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20142235 1.00 UPP1 (0.56) UPP1ALDH1A1NPC1TSHRPOLB
SCHEMBL22992327 1.00 UPP1 (0.56) UPP1ALDH1A1NPC1TSHRPOLB
SCHEMBL20804632 1.00 UPP1 (0.56) UPP1ALDH1A1NPC1TSHRPOLB
SCHEMBL20142237 1.00 UPP1 (0.56) UPP1ALDH1A1NPC1TSHRPOLB
SCHEMBL7151231 0.92 UPP1 (0.61) UPP1ALDH1A1NPC1POLBGAA
SCHEMBL7151233 0.92 UPP1 (0.61) UPP1ALDH1A1NPC1POLBGAA
SCHEMBL7787666 0.92 UPP1 (0.61) UPP1ALDH1A1NPC1POLBGAA
SCHEMBL22801918 0.92 UPP1 (0.48) UPP1ALDH1A1NPC1TSHRPOLB
SCHEMBL11648434 0.89 UPP1 (0.58) UPP1ALDH1A1NPC1RNASE1
SCHEMBL11648441 0.89 UPP1 (0.58) UPP1ALDH1A1NPC1RNASE1

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed