SCHEMBL21864438

SCHEMBL21864438

O=c1[nH]cc([C@@H]2S[C@H](CO)C[C@H]2O)c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PNP P00491 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ DPYD Q12882 1/20 0.31
▸ ATAD2 Q6PL18 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21864520 1.00 GAA (0.34) GAAMAPTPNPALDH1A1LMNA
SCHEMBL21275612 0.75 GAA (0.37) GAAMAPTPNPALDH1A1LMNA
SCHEMBL16629496 0.75 GAA (0.37) GAAMAPTPNPALDH1A1LMNA
SCHEMBL16098132 0.75 GAA (0.37) GAAMAPTPNPALDH1A1LMNA
SCHEMBL16130127 0.75 GAA (0.37) GAAMAPTPNPALDH1A1LMNA
SCHEMBL21864439 0.75 P2RY2 (0.36) —
SCHEMBL19337221 0.74 GAA (0.36) GAAMAPTALDH1A1LMNADPYD
SCHEMBL23892079 0.69 TK1 (0.41) LMNATSHRPMP22SMN1; SMN2
SCHEMBL658719 0.69 TK1 (0.41) LMNATSHRPMP22SMN1; SMN2
SCHEMBL12642442 0.69 TK1 (0.41) LMNATSHRPMP22SMN1; SMN2

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
EP-3301102-B1 RIBONUCLEIC ACIDS WITH 4'-THIO-MODIFIED NUCLEOTIDES AND RELATED METHODS TRANSLATE BIO INC (US) 2020-04-15 — — EP disclosed
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