SCHEMBL5200645

SCHEMBL5200645

C=C(CCCCC)C(=O)OCC[N+](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.54
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM5 P08912 4/20 0.47
CHRM1 P11229 4/20 0.47
CHRM3 P20309 4/20 0.47
TSHR P16473 3/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
DGKA P23743 1/20 0.46
ENPP2 Q13822 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTR1A P08908 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44

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
Bromide SCHEMBL5997183 0.98 ACHE (0.53) ACHEMAPTBLMADRA2AADRA1A
SCHEMBL3423192 0.86 DGKA (0.55) TSHRDGKA
SCHEMBL3502248 0.84 TSHR (0.58) RAD52NPSR1TSHRDGKA
SCHEMBL11142420 0.84 TSHR (0.53) TSHRDGKA
SCHEMBL1133209 0.82 TSHR (0.67) RAD52NPSR1TSHRDGKA
Hydrochloric Acid SCHEMBL5316150 0.82 MAPT (0.70) ACHEMAPTBLMADRA2AADRA1A
SCHEMBL4537822 0.82 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL6357524 0.82 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL20604286 0.82 TSHR (0.67) RAD52NPSR1TSHRDGKA
SCHEMBL7522565 0.82 TSHR (0.67) RAD52NPSR1TSHRDGKA

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-1613482-B1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK CO (US) 2007-08-22 EP claimed
US-20060210730-A1 Inkjet recording element comprising particles and polymers EASTMAN KODAK COMPANY 2006-09-21 US claimed
EP-1613482-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2006-01-11 EP claimed
WO-2004094158-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2004-11-04 WO claimed
EP-1613482-B1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK CO (US) 2007-08-22 EP disclosed
US-20060210730-A1 Inkjet recording element comprising particles and polymers EASTMAN KODAK COMPANY 2006-09-21 US disclosed
EP-1613482-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2006-01-11 EP disclosed
WO-2004094158-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2004-11-04 WO disclosed