SCHEMBL7982591

SCHEMBL7982591

Cn1nc(-c2cc(/C=C/C(=O)O)c(Cl)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MIF P14174 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 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
SCHEMBL7982593 1.00 IDH1 (0.35) IDH1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL27303944 0.88 HTR2A (0.33) CYP1A2CYP2C9HPGDCYP2C19MAPT
SCHEMBL8662378 0.85 MEN1 (0.36) CYP1A2CYP2C9CYP2C19
SCHEMBL7595992 0.84 MAPT (0.32) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL7960682 0.84 MAPT (0.32) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL7591106 0.83 MEN1 (0.34) CYP1A2CYP2C9CYP2C19
SCHEMBL30130330 0.83 MEN1 (0.34) CYP1A2CYP2C9CYP2C19
SCHEMBL7982212 0.83 RXRA (0.32) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL7982209 0.83 RXRA (0.32) CYP1A2CYP2C9CYP2C19MAPTMAPK1
SCHEMBL7960676 0.83 MEN1 (0.32) CYP1A2CYP2C9CYP2C19MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed
EP-0791571-A1 Benzoyl derivatives MONSANTO COMPANY (US) 1997-08-27 EP disclosed
US-5536700-A Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat MONSANTO COMPANY (US) 1996-07-16 US disclosed
US-5530126-A ALKYLATION IN INERT SOLVENT MONSANTO COMPANY (US) 1996-06-25 US disclosed
US-5496956-A BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID MONSANTO COMPANY (US) 1996-03-05 US disclosed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO disclosed