SCHEMBL15849800

SCHEMBL15849800

C[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(OC(=O)c2ccccc2)C1(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ TYMP P19971 6/20 0.34
▸ 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
▸ ABCB1 P08183 5/20 0.33
▸ SLC43A1 O75387 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CES1 P23141 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
SCHEMBL10017427 1.00 ALDH1A1 (0.35) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL13848178 1.00 ALDH1A1 (0.35) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL2786939 0.88 LGALS9 (0.37) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL2786937 0.88 LGALS9 (0.37) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL10017428 0.88 LGALS9 (0.37) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL15849784 0.88 LGALS9 (0.37) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL2786934 0.88 LGALS9 (0.37) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL13848182 0.88 LGALS9 (0.37) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL2787153 0.87 LGALS9 (0.34) ALDH1A1TYMPLGALS9LGALS1LGALS3
SCHEMBL15849795 0.87 LGALS9 (0.34) ALDH1A1TYMPLGALS9LGALS1LGALS3

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
US-8765933-B2 Asynthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2014-07-01 — — US disclosed
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