SCHEMBL7050671

SCHEMBL7050671

C=CC(=O)NC(CN)C(C)CC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ACACB O00763 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6882541 0.77 TSHR (0.56) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL8302678 0.76 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL9225320 0.76 TSHR (0.48) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL5549273 0.75
Hydrochloric Acid SCHEMBL8388837 0.74 TSHR (0.36) TSHRALDH1A1TDP1
SCHEMBL176143 0.74 TSHR (0.52) TSHRACACBALDH1A1MAPK1TDP1
Bromide SCHEMBL28431890 0.73 TSHR (0.56) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL16333815 0.73 TSHR (0.50) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL6470862 0.73 TSHR (0.50) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL8176609 0.73 ALDH1A1 (0.58) TSHRALDH1A1MAPK1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189755-B1 INKJET PRINTING MEDIA CONTAINING SUBSTANTIALLY WATER-INSOLUBLE PLASTICIZER HEWLETT PACKARD CO (US) 2003-04-23 EP disclosed
EP-0988154-B1 COATING COMPOSITION AND PRINTING MEDIUM HEWLETT PACKARD CO (US) 2002-11-06 EP disclosed
EP-0988152-B1 COATING COMPOSITION AND PRINTING MEDIUM HEWLETT PACKARD CO (US) 2002-10-30 EP disclosed
US-6340725-B1 COATING COMPOSITION, BINDERS, CATIONIC ADDITION POLYMER AND WATER INSOLUBLE FILLER PARTICLES HEWLETT-PACKARD COMPANY 2002-01-22 US disclosed
US-6265049-B1 BINDER BLEND CONTAINING POLYOXYETHYLENE GLYCOL AND CATIONIC POLYMER HEWLETT-PACKARD COMPANY 2001-07-24 US disclosed
US-6183844-B1 MULTILAYER COATINGS FOR PRINTING WITH SUBSTRATES AND ABSORBANT COATINGS AND PARTICLES HEWLETT-PACKARD COMPANY 2001-02-06 US disclosed
US-6074761-A COATING COMPRISES A BINDER CONSISTS OF ORGANIC POLYMER FREE OR AMMONIUM GROUPS, A CATIONIC ADDITION POLYMER CONTAINING QUATERNARY AMMONIUM GROUP, A SECOND ADDITION CATION POLYMER CONTAINING SECONDARY OR TERTIARY AMINE GROUPS, AND A FILLER PPG INDUSTRIES OHIO, INC. (US) 2000-06-13 US disclosed
US-5880196-A VOLATILE AQUEOUS LIQUID MEDIUM CONTAINING ONIUM-FREE AND ONIUM-CONTAINING POLYMERIC BINDERS, FINELY DIVIDED PSEUDOBOEHMITE PARTICLES; NONBLEEDING PPG INDUSTRIES, INC. (US) 1999-03-09 US disclosed