SCHEMBL6934937

SCHEMBL6934937

CC(=O)COc1cc(-c2c(Cl)c(C(F)(F)F)n(C)c2Cl)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
PPOX P50336 1/20 0.32
RORC P51449 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6937330 0.91 PTGDR2 (0.39) RORCPTGDR2CYP2C19TSHRTDP1
SCHEMBL7693094 0.91 LMNA (0.33) LMNAPPOXRORCPTGDR2MEN1
SCHEMBL6935030 0.89 PTGDR2 (0.34) LMNAPPOXRORCPTGDR2MEN1
SCHEMBL6937105 0.89 KDM4E (0.36) LMNAPPOXMEN1KMT2ATSHR
SCHEMBL6935585 0.88 PPOX (0.46) LMNAPPOXMEN1KMT2ATSHR
SCHEMBL7702777 0.87 LMNA (0.34) LMNAPPOXMEN1KMT2ATSHR
SCHEMBL7694241 0.86 HTT (0.46) LMNAMEN1KMT2ATSHR
SCHEMBL6937144 0.85
SCHEMBL6937143 0.85
SCHEMBL7703288 0.85 BACE1 (0.35) LMNAMEN1KMT2ACYP2C19

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 6 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
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US claimed
EP-1061072-A1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA S.r.l. (IT) 2000-12-20 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