SCHEMBL9816129

SCHEMBL9816129

CC(=O)ON[C@H]1c2cc(Cl)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.51
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 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
SCHEMBL10885309 0.85 ABCC9 (0.60) ABCC9KCNE1KCNQ1
SCHEMBL7477965 0.78 KCNE1 (0.60) ABCC9KCNE1KCNQ1
SCHEMBL8476342 0.76 KCNE1 (0.49) ABCC9KCNE1KCNQ1
SCHEMBL7478625 0.75 ABCC9 (0.69) ABCC9
SCHEMBL7478612 0.75 ABCC9 (0.69) ABCC9
SCHEMBL7478619 0.75 ABCC9 (0.69) ABCC9
SCHEMBL8338373 0.73 ABCC9 (0.73) ABCC9
SCHEMBL8338376 0.73 ABCC9 (0.73) ABCC9
SCHEMBL8338368 0.73 ABCC9 (0.73) ABCC9
SCHEMBL9394335 0.73 ABCC9 (0.55) ABCC9

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
EP-0127902-B1 AMINOMETHYL OXOOXAZOLIDINYL BENZENE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-16 EP disclosed