SCHEMBL6553082

SCHEMBL6553082

COc1cc(C(=O)C[C]=O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
RAB9A P51151 1/20 0.62
HTT P42858 1/20 0.60
HSD17B2 P37059 1/20 0.56
CYP1A2 P05177 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
BLM P54132 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NFKB1 P19838 2/20 0.53
ALOX5 P09917 1/20 0.53
STAT3 P40763 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
GAA P10253 3/20 0.49

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
SCHEMBL12694462 0.86 MEN1 (0.65) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1396833 0.81 MEN1 (0.68) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1491848 0.81 MEN1 (0.68) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL790171 0.81 SLC22A6 (0.62) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL16360980 0.80 MEN1 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL7433907 0.80 MEN1 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1119567 0.80 MEN1 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL23829906 0.79 HTT (0.67) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3811067 0.79 SLC22A6 (0.64) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3861897 0.79 MEN1 (0.64) MEN1KMT2ASLC22A6SLC22A8RAB9A

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