SCHEMBL2582116

SCHEMBL2582116

COC(=O)C(OC)Oc1cc(F)ccc1Oc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 15/20 0.33
SCN10A Q9Y5Y9 15/20 0.33

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
SCHEMBL2587115 0.94 BCAT2 (0.34) SCN8ASCN10A
SCHEMBL2587959 0.90 BRD4 (0.32) SCN8ASCN10A
SCHEMBL2587117 0.88 BCAT2 (0.32) SCN8ASCN10A
SCHEMBL2590560 0.87 BCAT2 (0.34)
SCHEMBL2591602 0.87 BCAT2 (0.34)
SCHEMBL2591656 0.86 DRD1 (0.37)
SCHEMBL2582391 0.86 BCAT2 (0.32) SCN8ASCN10A
SCHEMBL2589268 0.85 BCAT2 (0.33) SCN8ASCN10A
SCHEMBL2580415 0.85 BCAT2 (0.32)
SCHEMBL2585250 0.85 BCAT2 (0.32)

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