Ether

Ether

SCHEMBL2581487

CCOCC.O=C=Nc1ccc(Oc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
TRPA1 O75762 1/20 0.38
LTA4H P09960 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
ADRA2A P08913 3/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10299637 0.87 LTA4H (0.53) CYP3A4TSHRLTA4HTDP1CYP1A2
SCHEMBL50333 0.86 CYP3A4 (0.54) CYP3A4TSHRTRPA1LTA4HMAPK1
SCHEMBL4551613 0.86 CYP3A4 (0.54) CYP3A4TSHRTRPA1LTA4HMAPK1
SCHEMBL4544188 0.86 CYP3A4 (0.54) CYP3A4TSHRTRPA1LTA4HMAPK1
Ether SCHEMBL3898004 0.85 CYP3A4 (0.50) CYP3A4TSHRTRPA1GABRA1GABRB2
Ether SCHEMBL596696 0.81 CYP3A4 (0.47) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL28101787 0.81 LTA4H (0.48) CYP3A4TSHRTRPA1LTA4HMAPK1
SCHEMBL230798 0.81 NQO1 (0.56) CYP3A4TSHRLTA4HTDP1CYP1A2
Ether SCHEMBL2017189 0.81 CYP3A4 (0.45) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL668152 0.81 TEAD4 (0.47) CYP3A4TSHRTRPA1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048493-B2 Method of forming piezoelectric resin film KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-11-01 US disclosed
US-20080008825-A1 Method of forming piezoelectric resin film KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-01-10 US disclosed