SCHEMBL7204181

SCHEMBL7204181

C[C@H]1OC([C@]2(O)[C@H](O)[C@@H](CO)OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 7/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
ALPL P05186 2/20 0.71
ALPI P09923 2/20 0.71
ALPG P10696 1/20 0.71
KDM4E B2RXH2 7/20 0.70
AKR1B1 P15121 5/20 0.70
EPHX2 P34913 5/20 0.70
GAA P10253 4/20 0.70
MAOA P21397 4/20 0.70
XDH P47989 4/20 0.70
MAPT P10636 4/20 0.70
SLCO2B1 O94956 3/20 0.70
POLB P06746 3/20 0.70
CA12 O43570 2/20 0.70
CA2 P00918 2/20 0.70
CA4 P22748 2/20 0.70
CA7 P43166 2/20 0.70
ADRA2C P18825 2/20 0.70
KDM1A O60341 2/20 0.70

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
SCHEMBL10617449 1.00 P4HB (0.71) P4HBL3MBTL1ALPLALPIALPG
SCHEMBL10619215 0.94 P4HB (0.70) P4HBL3MBTL1ALPLALPIALPG
SCHEMBL5015176 0.88 P4HB (0.65) P4HBL3MBTL1ALPLALPIALPG
SCHEMBL18530210 0.88 P4HB (0.65) P4HBL3MBTL1ALPLALPIALPG
SCHEMBL17938793 0.83 P4HB (0.91) P4HBL3MBTL1ALPLALPIALPG
Isoquercetin SCHEMBL19214052 0.83 P4HB (1.00) P4HBL3MBTL1ALPLALPIALPG
Isoquercetin SCHEMBL22495101 0.83 P4HB (1.00) P4HBL3MBTL1ALPLALPIALPG
Isoquercetin SCHEMBL21244358 0.83 P4HB (1.00) P4HBL3MBTL1ALPLALPIALPG
Isoquercetin SCHEMBL6849311 0.83 P4HB (1.00) P4HBL3MBTL1ALPLALPIALPG
Isoquercetin SCHEMBL561412 0.83 P4HB (1.00) P4HBL3MBTL1ALPLALPIALPG

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
WO-2003077930-A1 USE OF AT LEAST ONE QUERCETINE FLAVONOID FOR INCREASING THE LEVEL OF USEFUL SHORT-CHAIN FATTY ACIDS IN THE LOWER INTESTINAL TRACT G.O.T. THERAPEUTICS GMBH (DE) 2003-09-25 WO claimed
WO-2003077930-A1 USE OF AT LEAST ONE QUERCETINE FLAVONOID FOR INCREASING THE LEVEL OF USEFUL SHORT-CHAIN FATTY ACIDS IN THE LOWER INTESTINAL TRACT G.O.T. THERAPEUTICS GMBH (DE) 2003-09-25 WO disclosed