SCHEMBL2587115

SCHEMBL2587115

COC(=O)C(OC)Oc1ccccc1Oc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
MAP2 P11137 2/20 0.31
BRAF P15056 6/20 0.31

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
SCHEMBL2587117 0.94 BCAT2 (0.32) BCAT2BCAT1SCN8ASCN10ABRAF
SCHEMBL2582116 0.94 SCN8A (0.33) SCN8ASCN10A
SCHEMBL2590560 0.93 BCAT2 (0.34) BCAT2BCAT1MAP2
SCHEMBL2591602 0.93 BCAT2 (0.34) BCAT2BCAT1MAP2
SCHEMBL2582391 0.92 BCAT2 (0.32) BCAT2BCAT1SCN8ASCN10AMAP2
SCHEMBL2580415 0.91 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2585250 0.91 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2589268 0.91 BCAT2 (0.33) BCAT2BCAT1SCN8ASCN10A
SCHEMBL2590608 0.90 BCAT2 (0.31) BCAT2BCAT1MAP2
SCHEMBL2583049 0.90 BCAT2 (0.33) BCAT2BCAT1

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
WO-2011137088-A1 HERBICIDAL URACILS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-03 WO claimed
WO-2011137088-A1 HERBICIDAL URACILS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-03 WO disclosed