SCHEMBL8445643

SCHEMBL8445643

CCC(=O)OCCOCOC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
DGKA P23743 1/20 0.41
GAA P10253 2/20 0.40
THRB P10828 2/20 0.39
HTT P42858 1/20 0.38
HIF1A Q16665 3/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
TP53 P04637 2/20 0.34
ADRA2A P08913 1/20 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
SCHEMBL3114270 0.90 NAAA (0.56) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL12673159 0.90 NAAA (0.56) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL347888 0.90 NAAA (0.56) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL181724 0.90 NAAA (0.56) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL50301 0.87 NAAA (0.64) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL31516165 0.86 NAAA (0.43) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL16616581 0.86 NAAA (0.43) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL448527 0.85 NAAA (0.52) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL106760 0.85 ALDH1A1 (0.62) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL11633352 0.84 NAAA (0.48) NAAAALDH1A1TSHRGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704445-B1 Preparation of N-9 substituted guanine compounds HOFFMANN LA ROCHE (CH) 1999-04-21 EP disclosed
US-5565565-A Preparation of N-9 substituted guanine compounds SYNTEX (U.S.A.) INC. (US) 1996-10-15 US disclosed
EP-0704445-A1 Preparation of N-9 substituted guanine compounds F. Hoffmann-La Roche AG (CH) 1996-04-03 EP disclosed