SCHEMBL6935624

SCHEMBL6935624

CCOC(=O)COc1cc(-c2c(Br)c(C(F)(F)F)n(C)c2Br)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.45
GAA P10253 3/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6941698 0.92 PPOX (0.45) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6940513 0.88 CYP2C19 (0.38) PKMTDP1TSHRALDH1A1KDM4E
SCHEMBL6935585 0.84 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6934929 0.82 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6942000 0.82 L3MBTL1 (0.31) L3MBTL1
SCHEMBL6939212 0.82 BAZ2B (0.40) GAAL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL6939948 0.80 CYP2C19 (0.38) PKMTDP1TSHRALDH1A1KDM4E
SCHEMBL6936945 0.79 PGK1 (0.34) LMNA
SCHEMBL6939582 0.79 PTGDR2 (0.35) GAA
SCHEMBL27303070 0.78 PPOX (0.46) 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 4 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 claimed
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