SCHEMBL8445987

SCHEMBL8445987

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ADRA1A P35348 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE3A Q14432 1/20 0.41
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
PRKCA P17252 3/20 0.34
MAPT P10636 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
TLR2 O60603 2/20 0.34
EP300 Q09472 2/20 0.33
P2RY10 O00398 2/20 0.33
GPR174 Q9BXC1 2/20 0.33
ENPP2 Q13822 1/20 0.32

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
SCHEMBL8445978 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8449919 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8578278 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448390 0.93 PDE3A (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8449563 0.93 PDE3A (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448373 0.93 PDE3A (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL9583275 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL9582923 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448247 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8445432 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10

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