SCHEMBL8514962

SCHEMBL8514962

CCCCCCN(CC)C(=O)COCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CES2 O00748 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ ZDHHC20 Q5W0Z9 2/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 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
SCHEMBL28449592 0.93 CA12 (0.40) MGLLCA12CA1CA9CA2
SCHEMBL28801636 0.93 CA12 (0.40) MGLLCA12CA1CA9CA2
SCHEMBL17498259 0.93 CA12 (0.40) MGLLCA12CA1CA9CA2
SCHEMBL24178734 0.93 MGLL (0.47) MGLLCA12CA1CA9CA2
SCHEMBL26764150 0.93 MGLL (0.47) MGLLCA12CA1CA9CA2
SCHEMBL21481172 0.88 MGLL (0.46) MGLLCA12CA1CA9CA2
SCHEMBL24178779 0.86 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL29758628 0.86 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL24178687 0.86 CA12 (0.45) MGLLCA12CA1CA9CA2
SCHEMBL935492 0.86 CA12 (0.45) MGLLCA12CA1CA9CA2

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
WO-2012069573-A1 PROCESS FOR SEPARATING AMERICIUM FROM OTHER METALLIC ELEMENTS PRESENT IN AN ACIDIC AQUEOUS OR ORGANIC PHASE AND APPLICATIONS THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-05-31 — — WO disclosed
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