SCHEMBL13708355

SCHEMBL13708355

CC1(COC(=O)c2ccccc2)C(COC(=O)c2ccccc2)OC(n2cc(F)c(N)nc2=O)C1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ DCK P27707 4/20 0.38
▸ ALB P02768 1/20 0.37
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ POLG P54098 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ SYNJ2 O15056 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ NT5E P21589 1/20 0.33

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
SCHEMBL16131607 0.91 ALDH1A1 (0.38) ALDH1A1HTTDCKALBPOLG
SCHEMBL13708357 0.82 ALDH1A1 (0.37) ALDH1A1HTTDCKALBPOLG
SCHEMBL6285023 0.78 DCK (0.44) ALDH1A1HTTDCKALBPOLG
SCHEMBL12702728 0.78 DCK (0.39) ALDH1A1HTTDCKALBPOLG
SCHEMBL16131588 0.78 ST6GAL1 (0.40) ALDH1A1HTTLMNANT5E
SCHEMBL7165048 0.77 ALDH1A1 (0.36) ALDH1A1HTTDCKALBPOLG
SCHEMBL11598911 0.76 MEN1 (0.55) ALDH1A1HTTDCKALBLMNA
SCHEMBL12724467 0.74 ALB (0.49) ALDH1A1HTTDCKALBPRMT5
SCHEMBL12702729 0.74 ALB (0.49) ALDH1A1HTTDCKALBPRMT5
SCHEMBL16131594 0.74 ALB (0.49) ALDH1A1HTTDCKALBPRMT5

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
WO-2009115927-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2009-09-24 — — WO disclosed
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