SCHEMBL3467883

SCHEMBL3467883

CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@](O)(S(=O)(=O)C(F)(F)F)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 4/20 0.34
LGALS3 P17931 2/20 0.34
LGALS4 P56470 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTPN1 P18031 4/20 0.33
F11 P03951 2/20 0.33
GAPDH P04406 1/20 0.32
ELANE P08246 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
SCHEMBL3467884 0.89 ALDH1A1 (0.37) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL1720755 0.85 ALDH1A1 (0.42) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL4287942 0.82 ALDH1A1 (0.44) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL1720756 0.81 ALDH1A1 (0.41) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL4287947 0.79 ALDH1A1 (0.43) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL8818204 0.77 ALDH1A1 (0.38) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL7901701 0.77 ALDH1A1 (0.38) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL4284504 0.77 ALDH1A1 (0.41) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL717850 0.76 ALDH1A1 (0.40) ALDH1A1NPC1MAPTMEN1USP2
SCHEMBL21412657 0.76 ALDH1A1 (0.40) ALDH1A1NPC1MAPTMEN1USP2

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-2010077623-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed