SCHEMBL8465302

SCHEMBL8465302

CC(C)(C)C(=O)OCCOCn1cnc2cnc(N)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ADRA1A P35348 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HBB P68871 2/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
POLG P54098 2/20 0.39
ABCB11 O95342 1/20 0.39
POLA1 P09884 1/20 0.39
FAP Q12884 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
TSHR P16473 2/20 0.38
PNP P00491 3/20 0.37

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
SCHEMBL8926305 0.87 HSD17B10 (0.61) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL9583133 0.82 ALDH1A1 (0.53) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL11001414 0.81 HSD17B10 (0.47) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL8466744 0.81 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL10648298 0.80 HDAC6 (0.47) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL10997884 0.80 ALDH1A1 (0.50) HSD17B10KDM4EALDH1A1HPGDADRA1A
Desciclovir SCHEMBL29403096 0.79 PNP (0.52) HSD17B10KDM4EALDH1A1HPGDADRA1A
Desciclovir SCHEMBL2028 0.79 PNP (0.52) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL10650936 0.78 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1HPGDADRA1A
SCHEMBL11001378 0.77 HSD17B10 (0.46) HSD17B10KDM4EALDH1A1HPGDADRA1A

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