SCHEMBL8071471

SCHEMBL8071471

O=C(O)CCC(=O)Nc1ccc2c(c1)B(O)OC2

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.90
CA2 P00918 15/20 0.90
CA12 O43570 13/20 0.90
CA9 Q16790 13/20 0.90
CA4 P22748 7/20 0.90
POLB P06746 1/20 0.58

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
SCHEMBL8071460 1.00 CA1 (0.90) CA1CA2CA12CA9CA4
SCHEMBL23922194 0.90 CA1 (0.90) CA1CA2CA12CA9CA4
SCHEMBL2282260 0.86 CA1 (0.88) CA1CA2CA12CA9CA4
SCHEMBL2281606 0.85 CA1 (0.77) CA1CA2CA12CA9CA4
SCHEMBL15148345 0.84 CA1 (0.82) CA1CA2CA12CA9CA4
SCHEMBL20788644 0.83 CA1 (0.76) CA1CA2CA12CA9CA4
SCHEMBL21768241 0.83 CA1 (0.77) CA1CA2CA12CA9CA4
SCHEMBL2283991 0.82 CA1 (0.74) CA1CA2CA12CA9CA4
SCHEMBL10268864 0.80 CA1 (0.66) CA1CA2CA12CA9CA4
SCHEMBL594922 0.79 CA1 (0.74) CA1CA2CA12CA9CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765331-B1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES AVECIA LTD (GB) 2000-08-09 EP disclosed
US-5880188-A PROTECTING MEDIUM SUSCEPTIBLE TO MICROBIAL ATTACK BY TREATING WITH SPECIFIED OXABOROLE COMPOUND ZENECA LIMITED (GB) 1999-03-09 US disclosed