SCHEMBL4453492

SCHEMBL4453492

CCCCCC(N)CC(C)=N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
SPHK1 Q9NYA1 2/20 0.42
TP53 P04637 2/20 0.41
LAP3 P28838 2/20 0.41
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
Iodide SCHEMBL3305841 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5666958 0.81 SPHK1 (0.50) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL3691020 0.78 OPRM1 (0.44) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL22986050 0.77 LMNA (0.50) OPRM1SPHK1LMNAMAPTALDH1A1
SCHEMBL28305103 0.77 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL13675239 0.77 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL18934339 0.77 S1PR2 (0.47) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL19021461 0.76 ACE2 (0.44) OPRM1SPHK1TP53LMNA
SCHEMBL23812908 0.76 ACE2 (0.44) OPRM1SPHK1TP53LMNA
SCHEMBL672857 0.75 OPRM1 (0.63) OPRM1S1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528186-B2 Tire; no need for an electrically conductive strip through or around the tread; 1-ethyl-3-methylimidazonium ethyl sulfate, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazonium acetate, 1-butyl-3-methylimidazonium hydrogen sulfate, or 1-butyl-3-methylimidazonium tetrachloro aluminate THE GOODYEAR TIRE & RUBBER COMPANY (US) 2009-05-05 US claimed
US-20070293610-A1 Tire; no need for an electrically conductive strip through or around the tread; 1-ethyl-3-methylimidazonium ethyl sulfate, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazonium acetate, 1-butyl-3-methylimidazonium hydrogen sulfate, or 1-butyl-3-methylimidazonium tetrachloro aluminate GOODYEAR TIRE & RUBBER COMPANY, THE 2007-12-20 US claimed
US-7528186-B2 Tire; no need for an electrically conductive strip through or around the tread; 1-ethyl-3-methylimidazonium ethyl sulfate, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazonium acetate, 1-butyl-3-methylimidazonium hydrogen sulfate, or 1-butyl-3-methylimidazonium tetrachloro aluminate THE GOODYEAR TIRE & RUBBER COMPANY (US) 2009-05-05 US disclosed
US-20070293610-A1 Tire; no need for an electrically conductive strip through or around the tread; 1-ethyl-3-methylimidazonium ethyl sulfate, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazonium acetate, 1-butyl-3-methylimidazonium hydrogen sulfate, or 1-butyl-3-methylimidazonium tetrachloro aluminate GOODYEAR TIRE & RUBBER COMPANY, THE 2007-12-20 US disclosed