SCHEMBL18596647

SCHEMBL18596647

CCOC(=O)CN(C)CCCOC(=O)CN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DNM1 Q05193 1/20 0.40
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.35
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4230083 0.82 LTA4H (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL16213831 0.82 LTA4H (0.49) LTA4HCA12CA1CA2CA9
SCHEMBL196815 0.81
Iodide SCHEMBL30042709 0.79 CA12 (0.57) CA12CA1CA2CA9GAA
Hydrochloric Acid SCHEMBL1876862 0.79 CA12 (0.57) LTA4HCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL8143027 0.79 CA12 (0.57) LTA4HCA12CA1CA2CA9
SCHEMBL1418369 0.79 CYP1A2 (0.55) LTA4HCA12CA1CA2CA9
SCHEMBL4230239 0.79 LTA4H (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL28810557 0.79 LTA4H (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL19317379 0.77 CA12 (0.52) LTA4HCA12CA1CA2CA9

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
US-9587258-B2 Processing biomass XYLECO, INC. (US) 2017-03-07 US disclosed