SCHEMBL6575404

SCHEMBL6575404

CC(=O)OC[C@H]1COC(C)(C)O1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
PDK1 Q15118 1/20 0.38
HTR7 P34969 1/20 0.38
NLRP3 Q96P20 2/20 0.35
DGAT1 O75907 1/20 0.33
APP P05067 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
F10 P00742 1/20 0.33
NAMPT P43490 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
SCHEMBL461346 1.00 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL6943821 0.89 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL18395904 0.89 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL12199638 0.89 CA2 (0.49) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL18395905 0.87 CA2 (0.54) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL15226054 0.87 CA2 (0.54) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL15225845 0.87 CA2 (0.54) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL6943823 0.87 CA2 (0.54) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL15225887 0.87 CA2 (0.54) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL12513225 0.86 CA2 (0.53) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413627-A1 Enzymatic synthesis of (S)-1,2-O-isopropylidene glycerol PRIME EUROPEAN THERAPEUTICALS S.p.A., in abbreviated form EUTICALS S.p.A. (IT) 2004-04-28 EP disclosed
EP-1413627-A1 Enzymatic synthesis of (S)-1,2-O-isopropylidene glycerol PRIME EUROPEAN THERAPEUTICALS S.p.A., in abbreviated form EUTICALS S.p.A. (IT) 2004-04-28 EP disclosed
EP-0930311-B1 PROCESS FOR PREPARING 1,3-DIOXOLANE-4-METHANOL COMPOUNDS DAISO CO LTD (JP) 2003-11-26 EP disclosed
US-6143908-A Process for preparation of 1,3-dioxolane-4-methanol compounds DAISO CO., LTD. (JP) 2000-11-07 US disclosed
EP-0930311-A1 PROCESS FOR PREPARING 1,3-DIOXOLANE-4-METHANOL COMPOUNDS DAISO CO., LTD. (JP) 1999-07-21 EP disclosed