SCHEMBL4558720

SCHEMBL4558720

C=CCc1ncc(CO)c(CO)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.40
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
DHFR P00374 1/20 0.31
ALDH2 P05091 1/20 0.30
GAA P10253 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
SCHEMBL16432764 0.86 PDXK (0.45) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3761208 0.81 PDXK (0.62) PDXKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11700751 0.80 ALDH1A1 (0.60) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1645737 0.77 PDXK (0.56) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2909398 0.77 PDXK (0.61) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4016022 0.77 KDM4E (0.61) PDXKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11016668 0.74 PDXK (0.68) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11449347 0.72 KDM4E (0.56) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3900653 0.71 PDXK (0.50) PDXKKDM4EALDH1A1HPGDHSD17B10
Pyridoxine SCHEMBL6265261 0.70 KDM4E (0.71) PDXKKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495101-B2 Manufacture of vitamin B6 DSM IP ASSETS B.V. (NL) 2009-02-24 US disclosed
US-20070072254-A1 Manufacture of vitamin b6 DSM IP ASSETS B.V. (NL) 2007-03-29 US disclosed
EP-1685133-A1 MANUFACTURE OF VITAMIN B6 DSM IP Assets B.V. (NL) 2006-08-02 EP disclosed
WO-2005049618-A1 MANUFACTURE OF VITAMIN B6 DSM IP ASSETS B.V. (NL) 2005-06-02 WO disclosed