SCHEMBL4680432

SCHEMBL4680432

CC(Oc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.41
PPOX P50336 4/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
DHODH Q02127 2/20 0.35

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
SCHEMBL4681493 0.90 PPOX (0.43) PPOXKDM4EALDH1A1DHODH
SCHEMBL4681716 0.88 PPOX (0.55) PPOXALDH1A1HPGDDHODH
SCHEMBL7532202 0.88 PPOX (0.44) PPOXDHODH
SCHEMBL6794821 0.82 PPOX (0.44) PPOXALDH1A1DHODH
SCHEMBL4682523 0.82 PPOX (0.41) PPARGPPOXPTGDR2KDM4EALDH1A1
SCHEMBL10458512 0.81 PPOX (0.41) PPOXKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4682095 0.80 PKM (0.34) KDM4EALDH1A1
SCHEMBL4682067 0.80 SMN1; SMN2 (0.35) KDM4EALDH1A1DHODH
SCHEMBL4062616 0.78 SORT1 (0.37) HPGD
SCHEMBL31448207 0.78 SORT1 (0.37) HPGD

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