SCHEMBL3379719

SCHEMBL3379719

C=CC(=O)N[N+](C)(C)CCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ALPL P05186 1/20 0.30

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
SCHEMBL176022 0.79 ZDHHC20 (0.41) TSHRTDP1ALDH1A1MAPK1ZDHHC20
Hydrochloric Acid SCHEMBL5487748 0.77 ZDHHC20 (0.40) TSHRTDP1ALDH1A1MAPK1ZDHHC20
Lactic Acid SCHEMBL4910797 0.76 TSHR (0.36) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL27594490 0.76 ZDHHC20 (0.47) TSHRTDP1ALDH1A1MAPK1ZDHHC20
L-Lactic Acid SCHEMBL4910791 0.75 TSHR (0.35) TSHRZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL15271262 0.74 ZDHHC20 (0.46) TSHRTDP1ALDH1A1MAPK1ZDHHC20
Hydrochloric Acid SCHEMBL8575188 0.74 TSHR (0.39) TSHRTDP1ALDH1A1MAPK1ZDHHC20
Hydrochloric Acid SCHEMBL2918034 0.72 TSHR (0.39) TSHRTDP1ALDH1A1MAPK1ZDHHC20
Bromide SCHEMBL8633399 0.71 ZDHHC20 (0.51) TSHRALDH1A1ZDHHC20ZDHHC2
Bromide SCHEMBL31071683 0.71 ZDHHC20 (0.51) TSHRALDH1A1ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683645-B1 Method for making tinted optical lenses ESSILOR INT (FR) 2010-11-17 EP disclosed
US-20090047424-A1 INK RECEPTIVE MATERIAL, TINTED OPTICAL LENSES AND METHOD FOR MANUFACTURING THE SAME ESSILOR INTERNATIONAL/ NIKON-ESSILOR CO., LTD. (JP) 2009-02-19 US disclosed
WO-2006079564-A1 INK RECEPTIVE MATERIAL, TINTED OPTICAL LENSES AND METHOD FOR MANUFACTURING THE SAME ESSILOR INTERNATIONAL (FR) 2006-08-03 WO disclosed
EP-1683645-A1 Tinted optical lenses and method for manufacturing the same ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2006-07-26 EP disclosed
US-6541567-B1 Comprises anionic polyester in which hydrophilic vinylpyrrolidone has been graft-polymerized, and cationic polymer surrounded by polyvinyl alcohol; radiation transparency TAKAMATSU OIL & FAT CO., LTD. (JP) 2003-04-01 US disclosed
EP-0995609-A1 COATING COMPOSITION FOR INK RECEPTOR LAYER IMPROVED IN THE FIXATION OF INK AND WATER RESISTANCE, AND PROCESS FOR THE PREPARATION THEREOF Takamatsu Oil & Fat Co., Ltd (JP) 2000-04-26 EP disclosed