SCHEMBL2591617

SCHEMBL2591617

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
SCN8A Q9UQD0 4/20 0.32
SCN10A Q9Y5Y9 4/20 0.32
PPOX P50336 2/20 0.31
PKM P14618 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DRD1 P21728 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
SCHEMBL2584490 0.91 BCAT2 (0.33) BCAT2BCAT1PPOXPKMTDP1
SCHEMBL2591602 0.90 BCAT2 (0.34) BCAT2BCAT1PPOXPKMTDP1
SCHEMBL2584788 0.90 BCAT2 (0.33) BCAT2BCAT1PPOXPKMTDP1
SCHEMBL2590674 0.86 BCAT2 (0.32) BCAT2BCAT1SCN8ASCN10A
SCHEMBL2587117 0.86 BCAT2 (0.32) BCAT2BCAT1SCN8ASCN10APKM
SCHEMBL2591621 0.86 MAP2 (0.32) BCAT2BCAT1
SCHEMBL2587115 0.84 BCAT2 (0.34) BCAT2BCAT1SCN8ASCN10A
SCHEMBL2587959 0.84 BRD4 (0.32) BCAT2BCAT1SCN8ASCN10APPOX
SCHEMBL2589268 0.84 BCAT2 (0.33) BCAT2BCAT1SCN8ASCN10A
SCHEMBL2588542 0.84 MEN1 (0.31) 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