SCHEMBL13845897

SCHEMBL13845897

O=C(Cc1ccc2ccccc2c1)NC(Cc1cccc(C(=O)O)c1)B(O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 12/20 0.61
PSMB8 P28062 9/20 0.61
CTRB1 P17538 2/20 0.51
MRGPRX4 Q96LA9 2/20 0.49

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
SCHEMBL3658818 1.00 PSMB5 (0.61) PSMB5PSMB8CTRB1MRGPRX4
SCHEMBL3659451 0.92 PSMB5 (0.68) PSMB5PSMB8CTRB1
SCHEMBL13846042 0.92 PSMB5 (0.68) PSMB5PSMB8CTRB1
SCHEMBL13846028 0.86 PSMB5 (0.64) PSMB5PSMB8CTRB1
SCHEMBL3771117 0.86 PSMB5 (0.64) PSMB5PSMB8CTRB1
SCHEMBL13845898 0.86 PSMB5 (0.60) PSMB5PSMB8CTRB1
SCHEMBL3653886 0.86 PSMB5 (0.60) PSMB5PSMB8CTRB1
SCHEMBL13846025 0.85 PSMB5 (0.61) PSMB5PSMB8CTRB1
SCHEMBL3661923 0.85 PSMB5 (0.76) PSMB5PSMB8CTRB1MRGPRX4
SCHEMBL13062124 0.85 PSMB5 (0.62) PSMB5PSMB8CTRB1MRGPRX4

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-2009064413-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed