SCHEMBL15849784

SCHEMBL15849784

O=C(OC1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](O)C1(F)F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ LGALS7; LGALS7B P47929 1/20 0.37
▸ TYMP P19971 12/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NT5E P21589 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL10017428 1.00 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL2786937 1.00 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL2786934 1.00 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL13848182 1.00 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL2786939 1.00 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL2787153 0.88 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL15849800 0.88 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL10017427 0.88 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL2787154 0.88 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP
SCHEMBL10017419 0.88 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BTYMP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508528-B1 STEREOSELECTIVE SYNTHESIS OF BETA-NUCLEOSIDES PHARMAESSENTIA CORP (TW) 2015-02-25 — — EP disclosed
US-8765933-B2 Asynthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2014-07-01 — — US disclosed
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