SCHEMBL28212840

SCHEMBL28212840

CCCCC(OC(N)=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.44
CA1 P00915 4/20 0.44
CTSK P43235 2/20 0.39
LMNA P02545 4/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
SLC15A1 P46059 1/20 0.38
MAPT P10636 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL17510954 0.88 LMNA (0.41) CA2CA1LMNACHRM2CHRM4
SCHEMBL1436087 0.86 CA2 (0.42) CA2CA1CTSKLMNACHRM2
SCHEMBL19025895 0.86 CA2 (0.42) CA2CA1CTSKLMNACHRM2
SCHEMBL609475 0.83 CTSK (0.41) CA2CA1CTSKLMNASLC15A1
SCHEMBL609476 0.82 CA2 (0.42) CA2CA1CTSKLMNAMAPT
SCHEMBL8007292 0.82 TRPV1 (0.50) CA2CA1CTSKLMNACHRM2
SCHEMBL223940 0.79 LMNA (0.50) CA2CA1LMNACHRM2CHRM4
SCHEMBL6980833 0.79 LMNA (0.43) CA2CA1LMNACHRM2CHRM4
SCHEMBL24593948 0.78 LMNA (0.53) CTSKLMNATSHRMAPTMAPK1
SCHEMBL5708099 0.78 CA1 (0.40) CA2CA1CTSKLMNATSHR

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
CN-108135923-A Target superoxide dismutase 1(SOD1)Nucleic acid molecules 阿克赛医药公司 2018-06-08 CN disclosed