SCHEMBL6658641

SCHEMBL6658641

C=C(COC(C)=O)C(=O)OC(CC)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PRKCA P17252 4/20 0.36
PRKCD Q05655 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.34
PTPN1 P18031 1/20 0.34
GLS2 Q9UI32 3/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL2238972 0.83 PRKCA (0.40) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL11741718 0.81 PRKCA (0.39) TSHRALDH1A1PRKCAPRKCDZDHHC7
Ethylene SCHEMBL28230295 0.81 PRKCA (0.39) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL2282732 0.81 PRKCA (0.42) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL154112 0.81 TSHR (0.49) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL6657011 0.80 FAAH (0.41) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL6660920 0.80 FAAH (0.41) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL28526610 0.80 TSHR (0.51) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL28697418 0.80 TSHR (0.51) FAAHTSHRPRKCAPRKCDZDHHC7
SCHEMBL27700983 0.80 TSHR (0.51) FAAHTSHRPRKCAPRKCDZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 EP disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 US disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 EP disclosed