SCHEMBL20628161

SCHEMBL20628161

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 1/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
PAM P19021 2/20 0.34
MGLL Q99685 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CES2 O00748 2/20 0.33
KDM5A P29375 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL24709510 0.92 CA12 (0.34) CA12CA1CA9CA2ZDHHC20
SCHEMBL20115513 0.88 CES2 (0.36) CA12CA1CA9CA2ZDHHC20
SCHEMBL27341113 0.88 CES2 (0.33) CA12CA1CA9CA2ZDHHC20
SCHEMBL23766685 0.87 CA12 (0.37) CA12CA1CA9CA2ZDHHC20
SCHEMBL22035307 0.86 CES2 (0.32) CA12CA1CA9CA2ZDHHC20
SCHEMBL24557245 0.84 CA12 (0.35) CA12CA1CA9CA2ZDHHC20
SCHEMBL22907293 0.83 CES2 (0.31) CA12CA1CA9CA2CES2
SCHEMBL21324002 0.83 CES2 (0.31) CA12CA1CA9CA2CES2
SCHEMBL20778802 0.82 CA12 (0.33) CA12CA1CA9CA2ZDHHC20
SCHEMBL25924428 0.79 CA12 (0.36) CA12CA1CA9CA2ZDHHC20

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-3424524-A2 CANCER RNA-VACCINE CureVac AG (DE) 2019-01-09 EP disclosed