SCHEMBL8449563

SCHEMBL8449563

CCCCCCCCCCCCCC(=O)OCC(COC(=O)[C@@H](N)C(C)C)OCn1cnc2cnc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ADRA1A P35348 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 1/20 0.36
HBB P68871 1/20 0.36
MAPT P10636 1/20 0.35
PRKCA P17252 3/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
TLR2 O60603 2/20 0.34
EP300 Q09472 2/20 0.34

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
SCHEMBL8448390 1.00 PDE3A (0.47) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8448373 1.00 PDE3A (0.47) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8449919 0.93 ALDH1A1 (0.42) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8445987 0.93 ALDH1A1 (0.42) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8445978 0.93 ALDH1A1 (0.42) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8578278 0.93 ALDH1A1 (0.42) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL9583275 0.93 ALDH1A1 (0.49) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL9582923 0.89 ALDH1A1 (0.47) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8448237 0.86 ALDH1A1 (0.62) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL8447891 0.86 ALDH1A1 (0.62) PDE3AALDH1A1KDM4EHPGDADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942916-A2 NUCLEOSIDES Medivir Aktiebolag (SE) 1999-09-22 EP disclosed
WO-1998021223-A1 NUCLEOSIDES MEDIVIR AB (SE) 1998-05-22 WO disclosed