SCHEMBL8447408

SCHEMBL8447408

CCC(=O)OCOC(COC(=O)CC)COC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NAAA Q02083 1/20 0.39
PRKCA P17252 4/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
ENPP2 Q13822 5/20 0.33
MAPT P10636 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL9464159 0.92 PRKCA (0.38) ALDH1A1LMNANAAAPRKCAPRKCE
SCHEMBL9464021 0.90 ALDH1A1 (0.37) ALDH1A1LMNANAAAPRKCAPRKCE
SCHEMBL9463669 0.87 NAAA (0.41) ALDH1A1LMNANAAAPRKCAPRKCE
SCHEMBL9463875 0.85 NAAA (0.39) ALDH1A1LMNANAAAPRKCAPRKCE
SCHEMBL9463955 0.85 NAAA (0.35) ALDH1A1LMNANAAACYP1A2HPGD
SCHEMBL9824006 0.85 PRKCA (0.51) ALDH1A1LMNANAAAPRKCAPRKCD
SCHEMBL15281577 0.83 ALDH1A1 (0.37) ALDH1A1LMNANAAAPRKCAPRKCE
SCHEMBL9463676 0.82 NAAA (0.33) ALDH1A1NAAACYP1A2HPGDCYP2C19
SCHEMBL9463663 0.82 MAPK1 (0.38) ALDH1A1NAAAPRKCACYP1A2HPGD
SCHEMBL9463771 0.82 NAAA (0.46) ALDH1A1LMNANAAACYP1A2CYP2C19

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 6 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
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed