SCHEMBL13845899

SCHEMBL13845899

COc1ccc(CC(=O)NC(Cc2cccc(C(=O)O)c2)B(O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 14/20 0.61
PSMB8 P28062 8/20 0.61
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEP1A Q16819 1/20 0.52
MEP1B Q16820 1/20 0.52
CNR2 P34972 1/20 0.50

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
SCHEMBL3662229 1.00 PSMB5 (0.61) PSMB5PSMB8TP53PKMNFKB1
SCHEMBL3653865 0.91 PSMB5 (0.60) PSMB5PSMB8TP53PKMNFKB1
SCHEMBL13846026 0.91 PSMB5 (0.60) PSMB5PSMB8TP53PKMNFKB1
SCHEMBL13846042 0.88 PSMB5 (0.68) PSMB5PSMB8
SCHEMBL3659451 0.88 PSMB5 (0.68) PSMB5PSMB8
SCHEMBL13845972 0.88 PSMB5 (0.55) PSMB5PSMB8PKMSMN1; SMN2MRGPRX4
SCHEMBL3773145 0.88 PSMB5 (0.55) PSMB5PSMB8PKMSMN1; SMN2MRGPRX4
SCHEMBL13846028 0.87 PSMB5 (0.64) PSMB5PSMB8
SCHEMBL3771117 0.87 PSMB5 (0.64) PSMB5PSMB8
SCHEMBL3658382 0.87 PSMB5 (0.51) PSMB5PSMB8TP53PKMNFKB1

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