SCHEMBL28826809

SCHEMBL28826809

CC(C)CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 19/20 1.00
PSMB1 P20618 1/20 0.65
PSMB2 P49721 1/20 0.65
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 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
SCHEMBL29755775 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2MMP1MMP2
SCHEMBL3149386 0.84 PSMB5 (0.72) PSMB5PSMB1PSMB2MMP1MMP2
SCHEMBL19387845 0.82 PSMB5 (0.70) PSMB5PSMB1PSMB2MMP1MMP2
SCHEMBL22311178 0.82 PSMB5 (1.00) PSMB5PSMB1PSMB2
SCHEMBL18766811 0.79 PSMB5 (1.00) PSMB5PSMB1PSMB2
SCHEMBL20756497 0.76 PSMB5 (0.77) PSMB5PSMB1PSMB2
SCHEMBL7065889 0.76 KDM4E (0.77) PSMB5MMP1MMP2MMP9
SCHEMBL14756729 0.76 PSMB5 (0.77) PSMB5PSMB1PSMB2
SCHEMBL18649511 0.75 PSMB5 (0.76) PSMB5PSMB1PSMB2
SCHEMBL28826795 0.75 PSMB5 (1.00) PSMB5

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-114671900-A Boric acid compound and application thereof 广州医科大学 2022-06-28 CN disclosed