SCHEMBL6378681

SCHEMBL6378681

CCC(=O)OCOC(COCc1ccccc1)COC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38

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
SCHEMBL9463439 0.97 ALDH1A1 (0.44) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL6378879 0.89 APOBEC3A (0.40) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL6378583 0.84 ALDH1A1 (0.54) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL3413225 0.84 ALDH1A1 (0.57) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL6380077 0.84 APOBEC3A (0.42) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL2437269 0.82 ALDH1A1 (0.54) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL27338787 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TSHRCYP3A4
SCHEMBL9191601 0.80 ALDH1A1 (0.51) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1
SCHEMBL8196611 0.79 TDP1 (0.50) SLC1A1ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL9019803 0.78 ALDH1A1 (0.50) SLC1A1ALDH1A1APOBEC3AAPOBEC3GCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882050-B2 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-05-04 — — EP claimed
EP-0882050-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-08-28 — — EP claimed
US-6040446-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-03-21 — — US claimed
EP-0882050-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 — — EP claimed
WO-1997027198-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO claimed
EP-0882050-B2 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-05-04 — — EP disclosed
EP-0923531-A3 METHOD OF PRODUCING COMPOUNDS CONTAINING ACYLOXYALKOXY GROUPS FROM ALCOHOLS DIXIE CHEMICAL COMPANY (US) 2002-11-27 — — EP disclosed
EP-0882050-B1 PROCESS FOR PREPARING PURINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-08-28 — — EP disclosed
US-6340756-B1 VIRICIDES SYNTEX (U.S.A.) INC. 2002-01-22 — — US disclosed
EP-0923531-B1 METHOD OF PRODUCING COMPOUNDS CONTAINING ACYLOXYALKOXY GROUPS FROM ALCOHOLS DIXIE CHEMICAL CO (US) 2001-10-31 — — EP disclosed
US-6218568-B1 REACTING 1-ARALKYLOXY-3-HALO-2-PROPANOL WITH METHOXYMETHYL ALKANOATE IN APROTIC SOLVENT IN THE PRESENCE OF A CATALYST TO PRODUCE 1-ARALKYLOXY-3-HALO-2-(ALKANOYLOXY)METHOXYPROPANE AND TREATING THE PRODUCT WITH ALKALI METAL ALKANOATE SYNTEX (U.S.A.) INC. 2001-04-17 — — US disclosed
US-6215017-B1 1-ARALKYLOXY-3-ACYLOXY-2-(ACYLOXY)METHOXYPROPANE DERIVATIVE; CHEMICAL INTERMEDIATES FOR VIRICIDE GANCICLOVIR SYNTEX (U.S.A.) INC. 2001-04-10 — — US disclosed
US-6040446-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-03-21 — — US disclosed
EP-0923531-A2 METHOD OF PRODUCING COMPOUNDS CONTAINING ACYLOXYALKOXY GROUPS FROM ALCOHOLS DIXIE CHEMICAL COMPANY (US) 1999-06-23 — — EP disclosed
US-5852208-A Method of producing compounds containing acyloxyalkoxy groups from alcohols DIXIE CHEMICAL COMPANY, INC. (US) 1998-12-22 — — US disclosed
EP-0882050-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 — — EP disclosed
WO-1998008800-A2 METHOD OF PRODUCING COMPOUNDS CONTAINING ACYLOXYALKOXY GROUPS FROM ALCOHOLS DIXIE CHEMICAL COMPANY (US) 1998-03-05 — — WO disclosed
WO-1997027198-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-07-31 — — WO disclosed
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