SCHEMBL2932044

SCHEMBL2932044

O=C(OC[C@@H]1O[C@](O)(C(=O)c2ccccc2)[C@@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
PTPN1 P18031 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAPDH P04406 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL4625578 0.87 MAPT (0.50) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL27514476 0.81 MAPT (0.53) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL308252 0.81 MAPT (0.53) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL308251 0.81 MAPT (0.53) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL7746169 0.81 MAPT (0.53) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL11075412 0.81 MAPT (0.53) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL30708946 0.80 ALDH1A1 (0.46) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL3024504 0.80 ALDH1A1 (0.46) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL10182003 0.80 MAPT (0.50) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL28604390 0.80 MAPT (0.57) MAPTALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172369-B1 Synthesis of 2-deoxy-2-fluoro-arabinose derivates AIR PROD & CHEM (US) 2010-09-22 EP disclosed
US-6462191-B1 DEOXOFLUORINATION OF FURANOSE; HEATING AIR PRODUCTS AND CHEMICALS, INC. 2002-10-08 US disclosed
EP-1172369-A1 Synthesis of 2-deoxy-2-fluoro-arabinose derivates AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-01-16 EP disclosed