SCHEMBL11198219

SCHEMBL11198219

COc1ccc(C(Nc2nc3c(ncn3COC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
VCP P55072 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
TK1 P04183 1/20 0.38
BCHE P06276 1/20 0.36
HPRT1 P00492 1/20 0.36

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
SCHEMBL10816275 0.93 MEN1 (0.47) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11204296 0.92 PDE3A (0.46) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11199339 0.92 PDE3A (0.42) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11207741 0.90 PDE3A (0.41) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL10814271 0.90 MEN1 (0.52) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11203425 0.88 PDE3A (0.40) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11205626 0.88 PDE3A (0.39) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11204540 0.88 PDE3A (0.39) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11204449 0.88 PDE3A (0.39) PDE3AMEN1KMT2AALDH1A1LMNA
SCHEMBL11204572 0.88 PDE3A (0.39) PDE3AMEN1KMT2AALDH1A1LMNA

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-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 EP disclosed