SCHEMBL8448159

SCHEMBL8448159

CCCCCCCCCCCCCC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(=O)[C@@H](N)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 1/20 0.62
ADRA1A P35348 1/20 0.62
HSD17B10 Q99714 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
EP300 Q09472 5/20 0.35
PDE3A Q14432 1/20 0.35
MAPT P10636 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNF P01375 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HBB P68871 1/20 0.33
LMNA P02545 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
SCHEMBL8448237 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8447891 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8445433 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8450131 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8447898 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448248 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8445432 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8448247 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8445384 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL8450129 0.93 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