SCHEMBL15722682

SCHEMBL15722682

CCCOC(=O)NCNC(=O)OCCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.56
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
EPHX1 P07099 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11411528 0.86 ACHE (0.64) ACHEEPHX1ALDH1A1
SCHEMBL965762 0.85
SCHEMBL604766 0.83
SCHEMBL5700191 0.83 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL604767 0.83
SCHEMBL7564851 0.81 ACHE (0.76) ACHEEPHX1
Hydrochloric Acid SCHEMBL27825731 0.81 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6499619 0.81
SCHEMBL22556158 0.81
Ammonia Solution, Strong SCHEMBL28282442 0.81 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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-8778069-B2 Phase change inks containing oligomeric rosin esters XEROX CORPORATION (US) 2014-07-15 US disclosed
US-20140137767-A1 Phase Change Inks Containing Oligomeric Rosin Esters XEROX CORPORATION (US) 2014-05-22 US disclosed