SCHEMBL6916163

SCHEMBL6916163

C=C(CC)C(=O)OC(=O)NC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11410735 0.83 EPHX1 (0.34) EPHX1CHRM2CHRM4CHRM5CYP2D6
SCHEMBL3105866 0.80 CTSD (0.33) ALDH1A1
SCHEMBL1923846 0.80 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL8953258 0.78 ALDH1A1 (0.35) ALDH1A1
Dimethylamine SCHEMBL27622469 0.76 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4947744 0.76 ALDH1A1 (0.52) EPHX1CHRM2CHRM4CHRM5CYP2D6
SCHEMBL997396 0.75 SOAT1 (0.38) ALDH1A1
SCHEMBL146425 0.75
SCHEMBL28103296 0.75 ALDH1A1 (0.38) NFKB1LMNAALDH1A1
SCHEMBL515574 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004061021-A1 MINERAL DISPERSIONS CONTAINING CARBOXYMETHYLCELLULOSE ACETATE BUTYRATE AND THEIR USE AS FLATTING AGENTS IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2004-07-22 WO disclosed
EP-0005379-B2 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1986-06-04 EP disclosed
US-4552830-A UNSATURATED COMPOUND, FREE RADICAL-PRODUCING PHOTOINITIATOR FLUORA COLOR FORMER, PROTON DONOR DYNACHEM CORPORATION (US) 1985-11-12 US disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed
EP-0005379-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1981-12-23 EP disclosed
US-4303695-A ACTINIC RADIATION CURABLE COATING BISCAYNE DECORATIVE PRODUCTS, INC. (US) 1981-12-01 US disclosed
US-4210693-A FLOOR TILES AND WALL COVERINGS DOWDFLOR CORPORATION (US) 1980-07-01 US disclosed
EP-0005379-A2 Photosensitive compositions containing carbonylic halides as activators Dynachem Corporation (US) 1979-11-14 EP disclosed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 EP disclosed
US-4100318-A Actinic radiation cured coating for cushioned sheet goods and method DOWDFLOR CORPORATION (US) 1978-07-11 US disclosed
US-3966572-A Photocurable low gloss coatings containing silica and acrylic acid UNION CARBIDE CORPORATION (US) 1976-06-29 US disclosed