SCHEMBL15849795

SCHEMBL15849795

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ TYMP P19971 10/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL2787153 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2787149 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2787154 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL10017419 1.00 LGALS9 (0.34) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL15849784 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2786934 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL13848182 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2786937 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL10017428 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL2786939 0.88 LGALS9 (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E

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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