SCHEMBL4677674

SCHEMBL4677674

Cc1c(C(F)(F)F)cnn(-c2cc(OC(C(=O)O)C(C)C)c(Cl)cc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 5/20 0.37
DHODH Q02127 12/20 0.34
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR3C1 P04150 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
SCHEMBL4682523 0.90 PPOX (0.41) PPOXDHODHMEN1NR1I2KMT2A
SCHEMBL4679803 0.88 PPOX (0.44) PPOXDHODHMEN1NR1I2KMT2A
SCHEMBL31442437 0.88 PPOX (0.44) PPOXDHODHMEN1NR1I2KMT2A
SCHEMBL31442383 0.87 PPOX (0.35) PPOXDHODHMEN1NR1I2KMT2A
SCHEMBL7531289 0.87 PPOX (0.41) PPOXDHODHMEN1NR1I2KMT2A
SCHEMBL985555 0.86 PPARG (0.38) PPOXDHODH
SCHEMBL4681638 0.85 PPOX (0.44) PPOXDHODH
SCHEMBL4679075 0.84 DHODH (0.38) PPOXDHODH
SCHEMBL4681148 0.84 PPOX (0.54) PPOXDHODHMEN1KMT2A
SCHEMBL8063467 0.83 PPOX (0.37) PPOXDHODHMEN1NR1I2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP claimed