SCHEMBL22296747

SCHEMBL22296747

CNC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ AMY2A P04746 1/20 0.45
▸ LGALS3 P17931 4/20 0.44
▸ LGALS8 O00214 3/20 0.44
▸ LGALS4 P56470 3/20 0.44
▸ PYGB P11216 1/20 0.43
▸ LGALS9 O00182 1/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ GJA1 P17302 1/20 0.41
▸ GJB2 P29033 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 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
SCHEMBL18976778 0.89 MEN1 (0.49) MEN1KMT2ALGALS3LGALS8LGALS4
SCHEMBL21698210 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL23430833 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL21894588 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL23735640 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL23617758 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL22296782 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL16217741 0.87 LGALS8 (0.53) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL19031176 0.84 MEN1 (0.50) MEN1KMT2AAMY2ALGALS3LGALS8
SCHEMBL23603194 0.82 AMY1A (0.50) MEN1KMT2AAMY2ALGALS3LGALS8

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-3690049-A1 COMPOSITIONS AND METHODS FOR MODULATING APOLIPOPROTEIN C-III EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2020-08-05 — — EP disclosed
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