Valganciclovir

Valganciclovir

SCHEMBL1120942

CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.85
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
BLM P54132 2/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
CYP3A4 P08684 1/20 0.65
NFKB1 P19838 1/20 0.65
VCP P55072 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HIF1A Q16665 1/20 0.65
HBB P68871 2/20 0.60
MAPK1 P28482 1/20 0.60
BCHE P06276 1/20 0.47
PNP P00491 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
HTR2A P28223 1/20 0.47
RECQL P46063 1/20 0.47

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
Valganciclovir SCHEMBL15251689 0.98 PDE3A (0.83) PDE3AMEN1KMT2ABLMALDH1A1
Valganciclovir SCHEMBL18837501 0.95 PDE3A (0.77) PDE3AMEN1KMT2ABLMALDH1A1
Valganciclovir SCHEMBL336814 0.94 PDE3A (0.78) PDE3AMEN1KMT2ABLMALDH1A1
(R)-Valganciclovir SCHEMBL13657988 0.93 PDE3A (1.00) PDE3AMEN1KMT2ABLMALDH1A1
(S)-Valganciclovir SCHEMBL22357189 0.93 PDE3A (1.00) PDE3AMEN1KMT2ABLMALDH1A1
Valganciclovir SCHEMBL28998 0.93 PDE3A (1.00) PDE3AMEN1KMT2ABLMALDH1A1
(R)-Valganciclovir SCHEMBL18040558 0.93 PDE3A (1.00) PDE3AMEN1KMT2ABLMALDH1A1
Valganciclovir SCHEMBL28996 0.93 PDE3A (0.74) PDE3AMEN1KMT2ABLMALDH1A1
(S)-Valganciclovir SCHEMBL28997 0.93 PDE3A (0.74) PDE3AMEN1KMT2ABLMALDH1A1
Valganciclovir SCHEMBL23225 0.92 PDE3A (0.73) PDE3AMEN1KMT2ABLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838303-B1 USE OF DIINDOLYLMETHANE-RELATED INDOLES FOR THE TREATMENT AND PREVENTION OF RESPIRATORY SYNCYTIAL VIRUS ASSOCIATES CONDITIONS BIORESPONSE LLC (US) 2011-02-09 EP disclosed