SCHEMBL20115513

SCHEMBL20115513

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.33
ZDHHC20 Q5W0Z9 3/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
DNM1 Q05193 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
MGLL Q99685 1/20 0.31
NAAA Q02083 1/20 0.30
DGKA P23743 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
SCHEMBL27341113 0.89 CES2 (0.33) CES2CA12CA1CA9CA2
SCHEMBL20628161 0.88 CA12 (0.37) CES2CA12CA1CA9CA2
SCHEMBL22035307 0.86 CES2 (0.32) CES2CA12CA1CA9CA2
SCHEMBL24557245 0.85 CA12 (0.35) CES2CA12CA1CA9CA2
SCHEMBL24709510 0.84 CA12 (0.34) CES2CA12CA1CA9CA2
SCHEMBL22907293 0.84 CES2 (0.31) CES2CA12CA1CA9CA2
SCHEMBL21324002 0.84 CES2 (0.31) CES2CA12CA1CA9CA2
SCHEMBL23766685 0.82 CA12 (0.37) CES2CA12CA1CA9CA2
SCHEMBL27254735 0.78 CA12 (0.44) CES2CA12CA1CA9CA2
SCHEMBL25989963 0.78 CA12 (0.44) CES2CA12CA1CA9CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144330-A1 NUCLEIC ACID ENCODED TRANSCRIPTION FACTOR INHIBITORS CureVac SE (DE) 2023-08-03 WO disclosed
WO-2022135993-A2 PHARMACEUTICAL COMPOSITION COMPRISING LIPID-BASED CARRIERS ENCAPSULATING RNA FOR MULTIDOSE ADMINISTRATION CUREVAC AG (DE) 2022-06-30 WO disclosed
WO-2021239880-A9 NUCLEIC ACID BASED COMBINATION VACCINES CUREVAC AG (DE) 2022-01-13 WO disclosed
WO-2021239880-A1 NUCLEIC ACID BASED COMBINATION VACCINES CUREVAC AG (DE) 2021-12-02 WO disclosed
WO-2020254535-A1 ROTAVIRUS MRNA VACCINE CUREVAC AG (DE) 2020-12-24 WO disclosed
WO-2018078053-A1 LIPID NANOPARTICLE MRNA VACCINES CUREVAC AG (DE) 2018-05-03 WO disclosed