SCHEMBL6934929

SCHEMBL6934929

CCOC(=O)COc1cc(-c2cc(C(F)(F)F)n(C)c2Br)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6938229 0.88 PKM (0.41) PKMTDP1TSHRALDH1A1KDM4E
SCHEMBL6935624 0.82 PPOX (0.45) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6941698 0.80 PPOX (0.45) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8189374 0.80 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6937089 0.78 PGK1 (0.35) LMNA
SCHEMBL6935585 0.78 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL27303070 0.76 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL31118333 0.75 PPOX (0.53) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8186020 0.74 PPOX (0.39) PPOXGAAPKML3MBTL1TDP1
SCHEMBL8191310 0.73 GAA (0.45) PPOXGAAPKML3MBTL1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 EP disclosed
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US disclosed
EP-1061072-A1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA S.r.l. (IT) 2000-12-20 EP disclosed