SCHEMBL6551981

SCHEMBL6551981

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
CYP3A4 P08684 2/20 0.62
BLM P54132 2/20 0.53
NFKB1 P19838 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PMP22 Q01453 1/20 0.51
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
SLC22A3 O75751 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.44
FOS P01100 1/20 0.44
TTR P02766 1/20 0.44
JUN P05412 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL7964647 0.79 TSHR (0.61) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL910427 0.79 TSHR (0.61) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL28578493 0.78 CYP3A4 (0.72) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL29776919 0.77 TSHR (1.00) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL31254076 0.77 TSHR (1.00) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL43536 0.77 TSHR (1.00) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL31254086 0.77 TSHR (1.00) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL31364250 0.77 TSHR (1.00) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL16684947 0.76 TSHR (0.69) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL16212370 0.76 CYP3A4 (0.68) TSHRCYP3A4BLMNFKB1NPSR1

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 19 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 claimed
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 claimed
US-20030167511-A1 Production of p-hydroxybenzoic acid PLANT BIOSCIENCE LIMITED (GB) 2003-09-04 US claimed
US-20010014467-A1 Production of vanillin NARBAD ARJAN (GB) 2001-08-16 US claimed
EP-0904396-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1999-03-31 EP claimed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO claimed
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-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-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
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
EP-0904396-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1999-03-31 EP disclosed
WO-1997035999-A3 PRODUCTION OF VANILLIN INST OF FOOD RESEARCH (GB) 1998-01-08 WO disclosed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO disclosed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO disclosed