SCHEMBL24030696

SCHEMBL24030696

CC1C(O)[C@@H](O[C@@H]2OC(CS)[C@H](O)C(O)C2O)C(CO)O[C@H]1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 3/20 0.51
▸ LGALS3 P17931 3/20 0.51
▸ LGALS4 P56470 3/20 0.51
▸ AMY1A P0DUB6 2/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ AMY2A P04746 3/20 0.42
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GJA1 P17302 1/20 0.39
▸ GJB2 P29033 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ MGAM O43451 2/20 0.39
▸ SI P14410 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL12787189 0.91 LGALS8 (0.52) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL12787180 0.91 LGALS8 (0.52) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL10136109 0.91 LGALS8 (0.52) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL769291 0.91 LGALS8 (0.52) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL12787186 0.91 LGALS8 (0.52) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL12787242 0.91 LGALS8 (0.52) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL17547717 0.90 AMY1A (0.58) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL17547716 0.90 AMY1A (0.58) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL17547745 0.90 AMY1A (0.58) LGALS8LGALS3LGALS4AMY1AMEN1
SCHEMBL17547725 0.90 AMY1A (0.58) LGALS8LGALS3LGALS4AMY1AMEN1

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-2021231397-A1 THIOSACCHARIDES FOR USE IN TREATING CORONAVIRUS INFECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-18 — — WO disclosed
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