SCHEMBL11207741

SCHEMBL11207741

CCCC(=O)OCC(COC(=O)CCC)OCn1cnc2c(=O)[nH]c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
VCP P55072 1/20 0.39
HIF1A Q16665 1/20 0.39
TK1 P04183 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11203425 0.95 PDE3A (0.40) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11199336 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11206962 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11205626 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11204572 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11202167 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11204449 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11204540 0.94 PDE3A (0.39) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11199339 0.94 PDE3A (0.42) PDE3AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10816275 0.91 MEN1 (0.47) PDE3AMEN1KMT2ALMNASMN1; SMN2

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