SCHEMBL2586130

SCHEMBL2586130

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.33
BCAT1 P54687 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2583049 0.94 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL2584481 0.93 ALDH1A1 (0.34)
SCHEMBL2585250 0.93 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2580415 0.93 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2591602 0.93 BCAT2 (0.34) BCAT2BCAT1SMN1; SMN2
SCHEMBL2588542 0.92 MEN1 (0.31) BCAT2BCAT1
SCHEMBL2587115 0.90 BCAT2 (0.34) BCAT2BCAT1
SCHEMBL2590664 0.90 BCAT2 (0.31) BCAT2BCAT1
SCHEMBL2590560 0.89 BCAT2 (0.34) BCAT2BCAT1
SCHEMBL2584788 0.88 BCAT2 (0.33) BCAT2BCAT1SMN1; SMN2

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