SCHEMBL6661368

SCHEMBL6661368

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
FAAH O00519 5/20 0.37
CA1 P00915 2/20 0.36
LMNA P02545 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CTSK P43235 1/20 0.34
TSHR P16473 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 2/20 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
SCHEMBL28138058 0.86 CA1 (0.41) PRKCAPRKCDFAAHCA1LMNA
SCHEMBL6663375 0.86 PRKCA (0.38) PRKCAPRKCDFAAHCA1LMNA
SCHEMBL6658614 0.84 FAAH (0.41) PRKCAPRKCDFAAHCA1LMNA
SCHEMBL5031265 0.83 CA2 (0.42) PRKCAPRKCDCA1CTSKTSHR
SCHEMBL2285455 0.80 PRKCA (0.41) PRKCAPRKCDCTSKTSHRACE2
SCHEMBL154112 0.80 TSHR (0.49) PRKCAPRKCDFAAHCA1CTSK
SCHEMBL9152143 0.80 ACHE (0.40) PRKCAPRKCDCA1CTSKACE2
SCHEMBL6660920 0.79 FAAH (0.41) PRKCAPRKCDFAAHCA1CNR1
SCHEMBL2238972 0.79 PRKCA (0.40) PRKCAPRKCDFAAHCA1CNR1
SCHEMBL28526610 0.79 TSHR (0.51) PRKCAPRKCDFAAHLMNATSHR

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