SCHEMBL19337535

SCHEMBL19337535

C[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GJA1 P17302 1/20 0.52
▸ GJB2 P29033 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ AMY1A P0DUB6 1/20 0.50
▸ LGALS8 O00214 1/20 0.50
▸ LGALS3 P17931 1/20 0.50
▸ LGALS4 P56470 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ AMY2A P04746 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ LRAT O95237 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL12859458 1.00 MEN1 (0.52) MEN1TSHRKMT2AGJA1GJB2
SCHEMBL26471008 0.91 HSD17B10 (0.55) MEN1TSHRHSD17B10LMNALRAT
SCHEMBL19074567 0.91 HSD17B10 (0.55) MEN1TSHRHSD17B10LMNALRAT
SCHEMBL17480019 0.91 HSD17B10 (0.55) MEN1TSHRHSD17B10LMNALRAT
SCHEMBL12454820 0.91 HSD17B10 (0.55) MEN1TSHRHSD17B10LMNALRAT
SCHEMBL23640180 0.91 HSD17B10 (0.55) MEN1TSHRHSD17B10LMNALRAT
SCHEMBL17879097 0.91 HSD17B10 (0.55) MEN1TSHRHSD17B10LMNALRAT
SCHEMBL12694348 0.90 MEN1 (0.53) MEN1TSHRKMT2AGJA1GJB2
SCHEMBL16153932 0.90 MEN1 (0.53) MEN1TSHRKMT2AGJA1GJB2
SCHEMBL26736014 0.89 AMY2A (0.51) MEN1TSHRKMT2AGJA1GJB2

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-2981541-B1 SYNTHESIS AND USE OF ISOTOPICALLY-LABELLED GLYCANS ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOP EN BIOMATERIALES (ES) 2017-09-13 — — EP disclosed
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