SCHEMBL6553052

SCHEMBL6553052

COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11038736 0.93 TSHR (0.53) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL9225912 0.86 HSD17B2 (0.42) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6553048 0.84 KMT2A (0.55) MAPTCYP1A2KMT2ASMN1; SMN2CYP2D6
SCHEMBL4807790 0.83 HTR4 (0.46) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4809444 0.83 ALDH1A1 (0.56) MAPTCYP3A4SMN1; SMN2KDM4EPOLB
SCHEMBL7273154 0.80 THRA (0.55) TSHRKDM4EPOLB
SCHEMBL9228976 0.80 MAPT (0.38) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL1231155 0.79 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2POLBRAB9A
SCHEMBL4510376 0.79 G6PD (0.51) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4508271 0.79 MGLL (0.44) MAPTTSHRCYP1A2CYP3A4CYP2C9

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