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SCHEMBL2591621

SCHEMBL2591621

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 2/20 0.32
▸ BCAT2 O15382 1/20 0.31
▸ BCAT1 P54687 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL2584788 0.93 BCAT2 (0.33) MAP2BCAT2BCAT1
SCHEMBL2587117 0.92 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2590560 0.92 BCAT2 (0.34) MAP2BCAT2BCAT1ITGB1ITGA4
SCHEMBL2591602 0.90 BCAT2 (0.34) MAP2BCAT2BCAT1
SCHEMBL2584490 0.87 BCAT2 (0.33) MAP2BCAT2BCAT1
SCHEMBL2587115 0.87 BCAT2 (0.34) MAP2BCAT2BCAT1
SCHEMBL2589268 0.87 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL2588542 0.86 MEN1 (0.31) MAP2BCAT2BCAT1
SCHEMBL2591617 0.86 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2586130 0.86 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