SCHEMBL8694334

SCHEMBL8694334

COC(=O)C1=C(C(F)(F)F)NC(C(F)(F)F)=C(C(=O)OC)C1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.44
CACNA1F O60840 5/20 0.39
CACNA1D Q01668 5/20 0.39
CACNA1S Q13698 5/20 0.39
CACNA1C Q13936 5/20 0.39
PTPN1 P18031 2/20 0.36
ADORA2B P29275 4/20 0.35
GAA P10253 1/20 0.35
GUSB P08236 1/20 0.34
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MITF O75030 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL9188539 0.85 ADORA2B (0.46) PTPN1ADORA2BGAAKMT2ANPC1
SCHEMBL9368536 0.74 FFAR3 (0.35) FFAR3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9726323 0.71 ADORA2B (0.50) ADORA2BGAAKMT2AHTTTDP1
SCHEMBL10509578 0.69 PTPN1 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL10509439 0.68 ADORA2B (0.50) ADORA2BGAAHTTTDP1
SCHEMBL27439201 0.67 ALDH1A1 (0.35) FFAR3CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10507556 0.66 ADORA2B (0.48) ADORA2BGAAHTTTDP1
SCHEMBL9726279 0.65 ADORA2B (0.47) ADORA2BGAAHTTTDP1
SCHEMBL831629 0.64 ADORA2B (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL833090 0.64 ADORA2B (0.44) ADORA2BGAANPC1NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773389-A HERBICIDES AND KILLING VEGETATION ROHM AND HAAS COMPANY (US) 1998-06-30 US disclosed
US-5424274-A Herbicides ROHM AND HAAS COMPANY (US) 1995-06-13 US disclosed
EP-0435843-B1 Substituted pyridine compounds MONSANTO CO (US) 1994-06-15 EP disclosed
US-5219824-A Preemergence, postemergence herbicides MONSANTO COMPANY (US) 1993-06-15 US disclosed
EP-0278944-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1992-09-30 EP disclosed
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
US-5129943-A Herbicides MONSANTO COMPANY (US) 1992-07-14 US disclosed
US-5114465-A Substituted pyridine compounds and herbicidal compositions and methods MONSANTO COMPANY (US) 1992-05-19 US disclosed
US-5100461-A Substituted 2,6-substituted pyridine compounds having herbicidal activity MONSANTO COMPANY (US) 1992-03-31 US disclosed
US-5037469-A Herbicides MONSANTO COMPANY (US) 1991-08-06 US disclosed
US-4988384-A HERBICIDES, PLANT GROWTH REGULATORS, ANTIGROWTH AGENTS MONSANTO COMPANY (US) 1991-01-29 US disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 US disclosed
US-4908057-A Substituted 2,6-substituted 1,2- or 1,6-dihydro pyridine compounds MONSANTO COMPANY (US) 1990-03-13 US disclosed
US-4826532-A HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
EP-0135491-B1 HERBICIDAL 2,6-BIS-FLUOROMETHYL-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS MONSANTO COMPANY (US) 1989-01-25 EP disclosed
EP-0278944-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1988-08-17 EP disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed