SCHEMBL20875737

SCHEMBL20875737

CCCCCCCCCCCCCO[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.40
NAAA Q02083 1/20 0.37
EPHX1 P07099 2/20 0.37
HTT P42858 1/20 0.37
TLR2 O60603 3/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CES2 O00748 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL20875803 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875747 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875801 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875728 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875793 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875758 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875756 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875960 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875836 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2
SCHEMBL20875800 1.00 DNM1 (0.40) DNM1NAAAEPHX1HTTTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692024-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE BASF SE (DE) 2020-08-12 EP disclosed
WO-2019068583-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE BASF SE (DE) 2019-04-11 WO disclosed