SCHEMBL2587959

SCHEMBL2587959

CCOC(=O)C(OC)Oc1ccc(F)cc1Oc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPOX P50336 2/20 0.31
BCAT2 O15382 1/20 0.30
BCAT1 P54687 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL2591602 0.94 BCAT2 (0.34) GAAMAPTALDH1A1HPGDHSD17B10
SCHEMBL2582116 0.90 SCN8A (0.33) SCN8ASCN10A
SCHEMBL2584788 0.89 BCAT2 (0.33) GAAMAPTALDH1A1HPGDHSD17B10
SCHEMBL2589268 0.88 BCAT2 (0.33) ALDH1A1HSD17B10BCAT2BCAT1SCN8A
SCHEMBL2588542 0.87 MEN1 (0.31) BCAT2BCAT1
SCHEMBL2587905 0.87 DRD1 (0.37)
SCHEMBL2587115 0.87 BCAT2 (0.34) BCAT2BCAT1SCN8ASCN10A
SCHEMBL2586130 0.87 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL2580415 0.86 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL2585250 0.86 BCAT2 (0.32) ALDH1A1BCAT2BCAT1

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