SCHEMBL2928916

SCHEMBL2928916

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
LMNA P02545 1/20 0.35
CES1 P23141 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.31
MDM2 Q00987 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL29153820 1.00 CES2 (0.35) CES2LMNACES1TDP1L3MBTL1
SCHEMBL29153821 1.00 CES2 (0.35) CES2LMNACES1TDP1L3MBTL1
SCHEMBL28597160 0.85 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1
SCHEMBL28734198 0.85 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1
SCHEMBL28597163 0.85 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1
SCHEMBL9064468 0.85 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1
SCHEMBL28162885 0.84 CES2 (0.31) CES2LMNACES1
SCHEMBL28162883 0.84 CES2 (0.31) CES2LMNACES1
SCHEMBL28975465 0.84 CES2 (0.31) CES2LMNACES1
SCHEMBL28975466 0.75 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1

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 6 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 claimed
US-6462191-B1 DEOXOFLUORINATION OF FURANOSE; HEATING AIR PRODUCTS AND CHEMICALS, INC. 2002-10-08 US claimed
EP-1172369-A1 Synthesis of 2-deoxy-2-fluoro-arabinose derivates AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-01-16 EP claimed
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