SCHEMBL28448221

SCHEMBL28448221

CC(C)C[C@@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)C(=O)OB1OC(C)(C)C(C)(C)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 18/20 0.57
PSMB1 P20618 13/20 0.57
PSMB2 P49721 13/20 0.57
PSMB8 P28062 12/20 0.57
PSMB9 P28065 12/20 0.57
PSMB6 P28072 12/20 0.57
PSMB10 P40306 12/20 0.57
PSMB11 A5LHX3 11/20 0.57
PSMA7 O14818 11/20 0.57
PSMA1 P25786 11/20 0.57
PSMA2 P25787 11/20 0.57
PSMA3 P25788 11/20 0.57
PSMA4 P25789 11/20 0.57
PSMA5 P28066 11/20 0.57
PSMB4 P28070 11/20 0.57
PSMB3 P49720 11/20 0.57
PSMA6 P60900 11/20 0.57
PSMA8 Q8TAA3 11/20 0.57
PSMB7 Q99436 11/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL23969555 0.83 PSMB5 (0.68) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18114334 0.82 PSMB5 (0.73) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL18114332 0.82 PSMB5 (0.73) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL20257210 0.80 PSMB5 (0.63) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL30731585 0.79 PSMB5 (0.71) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL20510120 0.79 PSMB5 (0.71) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL20257209 0.79 PSMB5 (0.71) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL22757736 0.77 PSMB5 (0.68) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL29359705 0.77 PSMB5 (0.57) PSMB5PSMB1PSMB2PSMB8PSMB9
SCHEMBL23969556 0.77 PSMB5 (0.57) PSMB5PSMB1PSMB2PSMB8PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794520-B Synthesis method of boric acid citrate compounds including Eszolomide 北京大学 2020-07-24 CN claimed
CN-108794520-B Synthesis method of boric acid citrate compounds including Eszolomide 北京大学 2020-07-24 CN disclosed
CN-108794520-B Synthesis method of boric acid citrate compounds including Eszolomide 北京大学 2020-07-24 CN disclosed