SCHEMBL2584788

SCHEMBL2584788

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.33
BCAT1 P54687 1/20 0.33
PPOX P50336 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30
MAP2 P11137 1/20 0.30
GAA P10253 2/20 0.30
CSF1R P07333 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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 0.95 BCAT2 (0.34) BCAT2BCAT1PPOXTDP1MEN1
SCHEMBL2587117 0.95 BCAT2 (0.32) BCAT2BCAT1TDP1MAPTKDM4E
SCHEMBL2591621 0.93 MAP2 (0.32) BCAT2BCAT1MAP2
SCHEMBL2584490 0.91 BCAT2 (0.33) BCAT2BCAT1PPOXTDP1MEN1
SCHEMBL2591617 0.90 BCAT2 (0.32) BCAT2BCAT1PPOXTDP1PKM
SCHEMBL2587959 0.89 BRD4 (0.32) BCAT2BCAT1PPOXMAPTGAA
SCHEMBL2589268 0.89 BCAT2 (0.33) BCAT2BCAT1KMT2ASMN1; SMN2KDM4E
SCHEMBL2588542 0.89 MEN1 (0.31) BCAT2BCAT1MEN1KMT2AMAP2
SCHEMBL2587115 0.88 BCAT2 (0.34) BCAT2BCAT1MAP2
SCHEMBL2586130 0.88 BCAT2 (0.33) BCAT2BCAT1SMN1; SMN2

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