1,4-Diethoxybenzene

1,4-Diethoxybenzene

SCHEMBL6015232

C1COCCN1.CCOc1ccc(OCC)cc1.F[B-](F)(F)F.N#[NH+]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
FKBP1A P62942 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
BACE1 P56817 1/20 0.36
LTA4H P09960 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36

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
1,4-Diethoxybenzene SCHEMBL10980721 0.89 NQO1 (0.52) NQO1FKBP1AALDH1A1HPGDKDM4E
Morpholine SCHEMBL16244866 0.77 FKBP1A (0.43) NQO1FKBP1AALDH1A1HPGDKDM4E
Morpholine SCHEMBL7989270 0.76 PLA2G4B (0.59) FKBP1AALDH1A1HPGDNPC1TP53
Morpholine SCHEMBL7989434 0.75 HPGD (0.48) FKBP1AALDH1A1HPGDKDM4ENPC1
Morpholine SCHEMBL11044415 0.72 SMN1; SMN2 (0.46) ALDH1A1HPGDKDM4ENPC1TP53
Morpholine SCHEMBL11061823 0.72 ALDH1A1 (0.36) FKBP1AALDH1A1HPGDKDM4ENPC1
Morpholine SCHEMBL11071701 0.71 OPRL1 (0.38) NQO1FKBP1AALDH1A1KDM4ESMN1; SMN2
Nitrogen SCHEMBL10797887 0.70 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ENPC1TP53
1,4-Dimethoxybenzene SCHEMBL10978346 0.69 ADRB1 (0.53) FKBP1AALDH1A1HPGDKDM4ESMN1; SMN2
Morpholine SCHEMBL28155578 0.69 MEN1 (0.69) KDM4ESMN1; SMN2MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558446-B1 THERMAL GENERATION OF A MASK FOR FLEXOGRAPHY KODAK POLYCHROME GRAPHICS LLC (US) 2006-08-16 EP disclosed