SCHEMBL8777006

SCHEMBL8777006

CCOCC(=O)OCC(COC(=O)COCC)OCn1cnc2nc(N)ncc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE3A Q14432 1/20 0.34
HSP90AA1 P07900 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
BLM P54132 1/20 0.31
VCP P55072 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL8777015 0.95 PDE3A (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8777007 0.90 ALDH1A1 (0.36) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8205815 0.89 ALDH1A1 (0.38) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8210725 0.88 ALDH1A1 (0.36) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9019755 0.86 ALDH1A1 (0.32) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8777020 0.86 ALDH1A1 (0.36) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8210030 0.85 ALDH1A1 (0.48) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8777016 0.82 ALDH1A1 (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8777001 0.81 PDE3A (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8777003 0.81 ALDH1A1 (0.35) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693071-B1 NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE HOECHST AG (DE) 1997-12-10 EP disclosed
EP-0693071-A1 NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
WO-1994024134-A1 NEW CARBOXYLIC-ACID ESTERS OF 2-AMINO-7-(1,3-DIHYDROXY-2-PROPOXYMETHYL)PURINE, THE PREPARATION OF SUCH ESTERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-27 WO disclosed