SCHEMBL8596046

SCHEMBL8596046

COC(=O)c1oc(C)c(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CELA1 Q9UNI1 1/20 0.41
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 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
SCHEMBL11453281 0.86 CELA1 (0.46) ALDH1A1CELA1KDM4ELMNATDP1
Potassium SCHEMBL7063557 0.84 CELA1 (0.44) ALDH1A1CELA1KDM4ELMNATDP1
SCHEMBL7063431 0.84 CELA1 (0.44) ALDH1A1CELA1KDM4ELMNATDP1
Lithium SCHEMBL7065112 0.84 CELA1 (0.44) ALDH1A1CELA1KDM4ELMNATDP1
SCHEMBL8598477 0.79 MAPT (0.45) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL14129723 0.71 ALDH1A1 (0.52) ALDH1A1CELA1KDM4ELMNATDP1
SCHEMBL1714747 0.70 ALDH1A1 (0.50) ALDH1A1CELA1KDM4ELMNATDP1
SCHEMBL27985259 0.69 CELA1 (0.38) ALDH1A1CELA1KDM4ELMNATDP1
SCHEMBL9825659 0.69 PTGS1 (0.48) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL14129737 0.68 ALDH1A1 (0.48) ALDH1A1CELA1KDM4ELMNATDP1

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-0532120-B1 Process for the preparation of 4-hydroxy-3(2H)furanones TASTEMAKER BV (NL) 1998-01-07 EP disclosed
US-5412121-A Process for the preparation of 4-hydroxy-3[2H]furanones TASTEMAKER (US) 1995-05-02 US disclosed
EP-0532120-A1 Process for the preparation of 4-hydroxy-3(2H)furanones Tastemaker B.V. (NL) 1993-03-17 EP disclosed