SCHEMBL20778802

SCHEMBL20778802

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)COC(C)(C)COC(C)(C)COC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.33
KDM5A P29375 2/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
MGLL Q99685 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL21324002 0.89 CES2 (0.31) CA12CA1CA9CA2KDM5A
SCHEMBL22907293 0.89 CES2 (0.31) CA12CA1CA9CA2KDM5A
SCHEMBL24557245 0.85 CA12 (0.35) CA12CA1CA9CA2ZDHHC20
SCHEMBL20628161 0.82 CA12 (0.37) CA12CA1CA9CA2KDM5A
SCHEMBL23766685 0.82 CA12 (0.37) CA12CA1CA9CA2KDM5A
SCHEMBL22035307 0.81 CES2 (0.32) CA12CA1CA9CA2KDM5A
SCHEMBL24597706 0.80
SCHEMBL24709510 0.78 CA12 (0.34) CA12CA1CA9CA2KDM5A
SCHEMBL23236779 0.78 CA12 (0.38) CA12CA1CA9CA2KDM5A
SCHEMBL22421662 0.78 CA12 (0.38) CA12CA1CA9CA2KDM5A

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-2019038332-A1 BUNYAVIRALES VACCINE CUREVAC AG (DE) 2019-02-28 WO disclosed