SCHEMBL9726286

SCHEMBL9726286

CCCc1c(C(=O)OCC)c(C(F)F)nc(C(F)(F)F)c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ADORA3 P0DMS8 7/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
IDO1 P14902 1/20 0.35
RORC P51449 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL9726357 0.95 KDM4E (0.37) KDM4EADORA3POLBMAPTKMT2A
SCHEMBL9726388 0.90 KDM4E (0.41) KDM4EADORA3POLBMAPTKMT2A
SCHEMBL9588985 0.89 KDM4E (0.43) KDM4EADORA3POLBMAPTKMT2A
SCHEMBL10457230 0.87 KDM4E (0.39) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9726336 0.87 KDM4E (0.36) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9189663 0.86 KDM4E (0.39) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9726369 0.86 KDM4E (0.39) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9726302 0.86 L3MBTL1 (0.42) KDM4EADORA3POLBMAPTKMT2A
SCHEMBL28845147 0.84 ADORA3 (0.41) KDM4EADORA3POLBMAPTKMT2A
SCHEMBL6731647 0.84 ADORA3 (0.41) KDM4EADORA3POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 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
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0135491-A1 Herbicidal 2,6-bis-fluoromethyl-dihydropyridine-3,5-dicarboxylic acid esters MONSANTO COMPANY (US) 1985-03-27 EP disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed