SCHEMBL2590560

SCHEMBL2590560

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
MAP2 P11137 2/20 0.33
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 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
SCHEMBL2587115 0.93 BCAT2 (0.34) BCAT2BCAT1MAP2
SCHEMBL2591621 0.92 MAP2 (0.32) BCAT2BCAT1MAP2ITGB1ITGA4
SCHEMBL2591602 0.91 BCAT2 (0.34) BCAT2BCAT1MAP2
SCHEMBL2582391 0.91 BCAT2 (0.32) BCAT2BCAT1MAP2
SCHEMBL2589268 0.90 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL2580415 0.90 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2585250 0.90 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2590608 0.89 BCAT2 (0.31) BCAT2BCAT1MAP2
SCHEMBL2583049 0.89 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL2586130 0.89 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