SCHEMBL16629545

SCHEMBL16629545

COC[C@H]1S[C@@H](c2c[nH]c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ DPYD Q12882 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PNP P00491 1/20 0.30

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
SCHEMBL18018832 0.88 PNP (0.35) GAAATAD2PNP
SCHEMBL22883825 0.83 HPRT1 (0.39) —
SCHEMBL16130073 0.83 HPRT1 (0.39) —
SCHEMBL16130127 0.83 GAA (0.37) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL21275612 0.83 GAA (0.37) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL16629496 0.83 GAA (0.37) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL16098132 0.83 GAA (0.37) GAAATAD2DPYDMAPTALDH1A1
SCHEMBL16130071 0.78 P2RY14 (0.31) —
SCHEMBL17484473 0.78 P2RY2 (0.37) —
SCHEMBL16102809 0.77 P2RY2 (0.36) —

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-2015051169-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-04-09 — — WO disclosed
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