SCHEMBL6552373

SCHEMBL6552373

CCOC(=O)C(CO)c1ccc(O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CYP3A4 P08684 2/20 0.57
HSD17B2 P37059 1/20 0.55
BLM P54132 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOB P27338 1/20 0.49
NFKB1 P19838 1/20 0.49
MMP1 P03956 1/20 0.49
GAA P10253 1/20 0.48
BCHE P06276 2/20 0.48
TYR P14679 2/20 0.48
ACHE P22303 2/20 0.48
PMP22 Q01453 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2391876 0.91 HSD17B2 (0.57) TSHRCYP3A4HSD17B2BLMNPSR1
SCHEMBL3835048 0.88 PPARG (0.53) NFKB1GAAACHEMEN1ALDH1A1
SCHEMBL30375902 0.88 TSHR (0.60) TSHRCYP3A4BLMNPSR1NFKB1
SCHEMBL17179845 0.87 HSD17B2 (0.54) TSHRCYP3A4HSD17B2BLMNPSR1
SCHEMBL3182348 0.84 TSHR (0.65) TSHRCYP3A4BLMNPSR1NFKB1
SCHEMBL490843 0.82 HSD17B2 (0.57) TSHRCYP3A4HSD17B2BLMNPSR1
SCHEMBL16231326 0.81 HSD17B2 (0.56) TSHRCYP3A4HSD17B2BLMNPSR1
Alcohol SCHEMBL17179872 0.79 TSHR (0.63) TSHRCYP3A4BLMNPSR1NFKB1
SCHEMBL298386 0.79 TSHR (0.67) TSHRCYP3A4BLMNPSR1NFKB1
SCHEMBL11582477 0.79 CA12 (0.52) GAAACHEMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904396-B1 PRODUCTION OF VANILLIN PLANT BIOSCIENCE LTD (GB) 2004-02-18 EP disclosed
US-6664088-B2 Reacting trans-ferulic acid and coenzyme a (CoASH) under trans-ferulate:CoASH ligase enzyme activity, trans-feruloyl SCoA hydratase activity, and 4-hydroxy-3-methoxyphenyl-beta-hydroxypropionyl SCoA cleavage activity; Pseudomonas enzymes PLANT BIOSCIENCE LIMITED (GB) 2003-12-16 US disclosed
US-20030167511-A1 Production of p-hydroxybenzoic acid PLANT BIOSCIENCE LIMITED (GB) 2003-09-04 US disclosed
US-6323011-B1 PROVIDING TRANS-FERULIC ACID OR ITS SALT; COMBINING WITH ENZYME ACTIVITY I, ENZYME ACTIVITY II, AND ENZYME ACTIVITY III, WHEREIN ENZYME ACTIVITY I, ENZYME ACTIVITY II, AND ENZYME ACTIVITY III CATALYZE THE PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 2001-11-27 US disclosed
US-20010014467-A1 Production of vanillin NARBAD ARJAN (GB) 2001-08-16 US disclosed
EP-0904396-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1999-03-31 EP disclosed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO disclosed