SCHEMBL4045930

SCHEMBL4045930

O=C(O)c1cc(CC(F)F)nn1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6110306 0.73 ALDH1A1 (0.40) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL21604161 0.71 SMYD3 (0.35) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL3956674 0.70 ALDH1A1 (0.38) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL28326595 0.69 ALDH1A1 (0.56) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL27258302 0.69 GRN (0.40) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL24014224 0.68 CA12 (0.40) GAAKDM4E
SCHEMBL6379359 0.67 GRN (0.33) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL17672402 0.66 KDM4E (0.37) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL27258467 0.66 ALDH1A1 (0.37) GRNSORT1ALDH1A1GAAKDM4E
SCHEMBL2215308 0.64 GRN (0.41) GRNSORT1ALDH1A1GAAKDM4E

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-1551403-B1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARM INC (US) 2009-04-29 EP disclosed