SCHEMBL4650693

SCHEMBL4650693

CCOC(=O)c1c(C(F)(F)F)n[nH]c1C(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4D Q08499 1/20 0.46
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
PLAT P00750 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
IDO1 P14902 1/20 0.35
GAA P10253 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPK10 P53779 2/20 0.34

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
SCHEMBL4650539 0.89 KDM4E (0.52) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL20471481 0.82 KDM4E (0.74) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL19328 0.82 PDE4D (0.65) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL15165757 0.81 PDE4D (0.50) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL2084738 0.79 SMN1; SMN2 (0.50) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL20583553 0.79 PDE4D (0.49) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL4650523 0.79 KDM4E (0.55) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL17777909 0.79 KDM4E (0.55) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL4650593 0.77
SCHEMBL20471495 0.75 KDM4E (0.50) KDM4EMAPTPOLBKMT2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed