SCHEMBL3652807

SCHEMBL3652807

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TGM2 P21980 6/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
LMNA P02545 2/20 0.33
FGFR4 P22455 1/20 0.32
F13A1 P00488 1/20 0.31
TGM1 P22735 1/20 0.31
TGM3 Q08188 1/20 0.31
BBOX1 O75936 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
Hydrochloric Acid SCHEMBL3289299 0.81 TSHR (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL5054226 0.79
Cyclopropane SCHEMBL11144471 0.77 TSHR (0.44) TSHRALDH1A1MAPK1TDP1TGM2
Propene SCHEMBL27725465 0.77 TSHR (0.39) TSHRALDH1A1MAPK1TDP1TGM2
Hydrochloric Acid SCHEMBL2918034 0.74 TSHR (0.39) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL176022 0.72 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8976914 0.72 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL5487748 0.71 ZDHHC20 (0.40) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrogen Sulfide SCHEMBL27505019 0.71
SCHEMBL15004 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205210-A2 STYLING AGENTS GIVING A HIGH DEGREE OF HOLD IN HUMID CONDITIONS V Henkel AG & Co. KGaA (DE) 2010-07-14 EP disclosed
WO-2009059814-A3 STYLING AGENTS GIVING A HIGH DEGREE OF HOLD IN HUMID CONDITIONS V HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed
WO-2009059814-A2 STYLING AGENTS GIVING A HIGH DEGREE OF HOLD IN HUMID CONDITIONS V HENKEL AG & CO. KGAA (DE) 2009-05-14 WO disclosed