SCHEMBL2584481

SCHEMBL2584481

CCCCOC(=O)C(OC)Oc1cc(Cl)ccc1Oc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CNR1 P21554 1/20 0.30
CYP2C9 P11712 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
SCHEMBL2586130 0.93 BCAT2 (0.33)
SCHEMBL2589268 0.88 BCAT2 (0.33) ALDH1A1KDM4E
SCHEMBL2583049 0.87 BCAT2 (0.33)
SCHEMBL2585250 0.85 BCAT2 (0.32) ALDH1A1
SCHEMBL2580415 0.85 BCAT2 (0.32)
SCHEMBL2591602 0.85 BCAT2 (0.34) ALDH1A1TDP1L3MBTL1HPGD
SCHEMBL2588542 0.85 MEN1 (0.31)
SCHEMBL2582116 0.84 SCN8A (0.33)
SCHEMBL2587959 0.84 BRD4 (0.32) ALDH1A1HPGD
SCHEMBL2590664 0.83 BCAT2 (0.31)

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 1 patent. 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 disclosed