SCHEMBL4679075

SCHEMBL4679075

CCCC(Oc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.38
PPOX P50336 3/20 0.36
CCR1 P32246 1/20 0.36
PPARG P37231 3/20 0.33
PPARD Q03181 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
SCHEMBL4681631 0.95 PPOX (0.35) DHODHPPOXCCR1PPARGPPARD
SCHEMBL4678284 0.94 PPOX (0.35) DHODHPPOXCCR1PPARGPPARD
SCHEMBL985555 0.93 PPARG (0.38) DHODHPPOXCCR1PPARGPPARD
SCHEMBL4682523 0.86 PPOX (0.41) DHODHPPOXPPARGPPARD
SCHEMBL4677674 0.84 PPOX (0.37) DHODHPPOX
SCHEMBL31442383 0.84 PPOX (0.35) DHODHPPOX
SCHEMBL4679803 0.84 PPOX (0.44) DHODHPPOX
SCHEMBL31442437 0.84 PPOX (0.44) DHODHPPOX
SCHEMBL4681148 0.84 PPOX (0.54) DHODHPPOX
SCHEMBL5969641 0.83 PPOX (0.36) DHODHPPOXCCR1

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