SCHEMBL13845896

SCHEMBL13845896

O=C(Cc1ccccc1Cl)NC(Cc1cccc(C(=O)O)c1)B(O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 14/20 0.56
PSMB8 P28062 9/20 0.56
CTRB1 P17538 2/20 0.50
NPC1 O15118 1/20 0.46
NR4A2 P43354 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3659276 1.00 PSMB5 (0.56) PSMB5PSMB8CTRB1NPC1NR4A2
SCHEMBL3660195 0.87 PSMB5 (0.56) PSMB5PSMB8CTRB1
SCHEMBL13845895 0.87 PSMB5 (0.56) PSMB5PSMB8CTRB1
SCHEMBL13846042 0.86 PSMB5 (0.68) PSMB5PSMB8CTRB1
SCHEMBL3659451 0.86 PSMB5 (0.68) PSMB5PSMB8CTRB1
SCHEMBL13846041 0.86 PSMB5 (0.55) PSMB5PSMB8CTRB1
SCHEMBL3661002 0.86 PSMB5 (0.55) PSMB5PSMB8CTRB1
SCHEMBL3661923 0.84 PSMB5 (0.76) PSMB5PSMB8CTRB1
SCHEMBL13846025 0.84 PSMB5 (0.61) PSMB5PSMB8CTRB1NR4A2
SCHEMBL3658451 0.84 PSMB5 (0.61) PSMB5PSMB8CTRB1NR4A2

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