SCHEMBL8466744

SCHEMBL8466744

CCCCCC(=O)OCCOCn1cnc2cnc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ADRA1A P35348 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
DGKA P23743 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.38
HBB P68871 1/20 0.38
EP300 Q09472 6/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TNF P01375 3/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 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
SCHEMBL11001414 0.86 HSD17B10 (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8926305 0.83 HSD17B10 (0.61) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9583275 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9582923 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8465302 0.81 HSD17B10 (0.50) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9182620 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8840050 0.79 HSD17B10 (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10996278 0.79 HSD17B10 (0.54) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8449563 0.77 PDE3A (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8448373 0.77 PDE3A (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158513-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-10-16 EP claimed
US-5877163-A TREATING AIDS WITH 3'-AZIDO-3'-DEOXYTHYMIDINE IN COMBINATION WITH INTERLEUKIN II OR PHOSPHONOFORMATE GLAXO WELLCOME INC. (US) 1999-03-02 US disclosed
US-5683990-A ADMINISTERING AZT AND 2-AMINO-9-(2-HYDROXYETHOXYMETHYL) PURINE IN TREATMENT OF AIDS GLAXO WELLCOME INC. (US) 1997-11-04 US disclosed
EP-0158513-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-10-16 EP disclosed