SCHEMBL28485656

SCHEMBL28485656

CC(COO)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
APLNR P35414 1/20 0.30
POLB P06746 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
SCHEMBL11550254 0.83 MAPK1 (0.48) CA1CA2CA7NOS1NOS3
SCHEMBL19628870 0.83 MAPK1 (0.48) CA1CA2CA7NOS1NOS3
SCHEMBL14593924 0.79 CA1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL28688027 0.79 NOS1 (0.36) CA1CA2CA7NOS1NOS3
SCHEMBL19628873 0.79 PRKCA (0.47) CA1CA2CA7NOS1NOS3
SCHEMBL24719148 0.78 NOS1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL758635 0.78 MEN1 (0.35) CA1CA2CA7NOS1NOS3
SCHEMBL15354846 0.78 CA14 (0.40) CA1CA2CA7NOS1NOS3
SCHEMBL16665545 0.77 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL12309460 0.77 CA1 (0.37) CA1CA2CA7NOS1NOS3

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-111823469-A Microwave electromagnetic heating foaming forming process, applicable mold and foaming material 正合林兴业股份有限公司 2020-10-27 CN disclosed