SCHEMBL7923737

SCHEMBL7923737

O=C(CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1)N[C@@H](CC1CCC1)B(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.60
MMP13 P45452 5/20 0.60
ADAMTS4 O75173 4/20 0.60
MMP1 P03956 4/20 0.60
MMP14 P50281 4/20 0.60
ADAMTS5 Q9UNA0 4/20 0.60
MEP1B Q16820 1/20 0.43
UCHL1 P09936 1/20 0.42
USP30 Q70CQ3 1/20 0.42
PSMB5 P28074 4/20 0.41
PSMB8 P28062 2/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41

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
SCHEMBL3148973 0.84 ADAMTS4 (0.44) MMP2MMP13ADAMTS4MMP1MMP14
SCHEMBL3143565 0.84 PSMB5 (0.53) MMP2MMP13ADAMTS4MMP1MMP14
SCHEMBL19387780 0.84 ADAMTS4 (0.44) MMP2MMP13ADAMTS4MMP1MMP14
SCHEMBL19382404 0.84 PSMB5 (0.53) MMP2MMP13ADAMTS4MMP1MMP14
SCHEMBL13381032 0.84 ADAMTS4 (0.44) MMP2MMP13ADAMTS4MMP1MMP14
SCHEMBL2512498 0.80 PSMB5 (0.50) MMP2MMP13ADAMTS4MMP1MMP14
SCHEMBL3148974 0.75 PSMB5 (0.61) PSMB5PSMB8PSMB11PSMA7PSMB1
SCHEMBL19381926 0.75 PSMB5 (0.61) PSMB5PSMB8PSMB11PSMA7PSMB1
SCHEMBL3149645 0.74 PSMB5 (0.51) MMP2ADAMTS4USP30PSMB5PSMB8
SCHEMBL19381919 0.72 MGLL (0.40) PSMB5PSMB8PSMB11PSMA7PSMB1

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
WO-2010036357-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed