SCHEMBL28822145

SCHEMBL28822145

CC(C)(C)OC(=O)NCCCOC(Br)(OCCCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
IDO1 P14902 1/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 4/20 0.44
MALT1 Q9UDY8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL24920672 0.80 CA12 (0.67) CA12CA1CA2CA9IDO1
SCHEMBL17274167 0.77 TDP1 (0.51) CA12CA1CA2CA9IDO1
SCHEMBL13622021 0.77 IDO1 (0.56) CA12CA1CA2CA9IDO1
SCHEMBL4459617 0.76 CA12 (0.65) CA12CA1CA2CA9MEN1
SCHEMBL24191753 0.76 CA12 (0.55) CA12CA1CA2CA9IDO1
SCHEMBL31505697 0.76 MALT1 (0.51) CA12CA1CA2CA9IDO1
SCHEMBL17675706 0.76 CA12 (0.67) CA12CA1CA2CA9IDO1
SCHEMBL4583683 0.76 POLB (0.65) IDO1MEN1GAAKMT2ATDP1
SCHEMBL24186385 0.75 TDP1 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL14740749 0.75 CA1 (0.57) CA12CA1CA2CA9IDO1

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-104928227-A Application of conjugated polymer PFP-G2 CHINESE ACAD INST CHEMISTRY 2015-09-23 CN disclosed