SCHEMBL13845895

SCHEMBL13845895

O=C(Cc1ccccc1Br)NC(Cc1cccc(C(=O)O)c1)B(O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 12/20 0.56
PSMB8 P28062 10/20 0.56
CTRB1 P17538 4/20 0.50
FOLH1 Q04609 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
SCHEMBL3660195 1.00 PSMB5 (0.56) PSMB5PSMB8CTRB1FOLH1
SCHEMBL3659276 0.87 PSMB5 (0.56) PSMB5PSMB8CTRB1
SCHEMBL13845896 0.87 PSMB5 (0.56) PSMB5PSMB8CTRB1
SCHEMBL13845900 0.86 PSMB5 (0.50) PSMB5PSMB8
SCHEMBL3659313 0.86 PSMB5 (0.50) PSMB5PSMB8
SCHEMBL3659451 0.86 PSMB5 (0.68) PSMB5PSMB8CTRB1FOLH1
SCHEMBL13846042 0.86 PSMB5 (0.68) PSMB5PSMB8CTRB1FOLH1
SCHEMBL13846041 0.86 PSMB5 (0.55) PSMB5PSMB8CTRB1
SCHEMBL3661002 0.86 PSMB5 (0.55) PSMB5PSMB8CTRB1
SCHEMBL3659177 0.84 PSMB5 (0.59) PSMB5PSMB8CTRB1FOLH1

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