SCHEMBL22838232

SCHEMBL22838232

CC[C@@H]1OC(OC)[C@@H](NC(C)=O)C(O)C1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ LGALS3 P17931 5/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ LGALS9 O00182 1/20 0.39
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CD69 Q07108 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ LGALS8 O00214 1/20 0.36
▸ LGALS4 P56470 1/20 0.36

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
SCHEMBL21415335 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL21251634 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL21251844 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL21893892 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL21251598 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL22593278 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL23735725 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL21894556 1.00 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL23571916 0.88 ALDH1A1 (0.53) ALDH1A1THRBMAPK1LGALS3LGALS1
SCHEMBL22296868 0.88 MAPK1 (0.51) ALDH1A1THRBMAPK1LGALS3SMN1; 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-3757215-A2 COMPOSITIONS AND METHODS FOR MODULATING GROWTH HORMONE RECEPTOR EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2020-12-30 — — EP disclosed
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