SCHEMBL5017948

SCHEMBL5017948

CCOC(=O)CC(CC(=O)CC(Cl)Cl)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PRKCA P17252 2/20 0.34
TRPA1 O75762 1/20 0.33
ALOX15 P16050 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 1/20 0.32

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
SCHEMBL5017951 1.00 RRM1 (0.36) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL1267661 0.86 ALDH1A1 (0.48) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL5017892 0.83 PRKCA (0.36) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL3771016 0.83 PRKCA (0.36) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL6036839 0.80 LMNA (0.51) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL5175797 0.80 LMNA (0.51) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL1269016 0.80 ALDH1A1 (0.41) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL9745564 0.79 ALDH1A1 (0.44) RRM1ALDH1A1LMNAHSD17B10MGAM
SCHEMBL265477 0.79 ALDH1A1 (0.44) RRM1ALDH1A1LMNAHSD17B10MGAM
Ethyl Acetate SCHEMBL2089133 0.77 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10MGAMGAA

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
US-7420078-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3,5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-02 US claimed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 EP claimed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 WO claimed