SCHEMBL7991052

SCHEMBL7991052

FC(F)Oc1ccc(C(Cl)c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)cc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
PDE4A P27815 9/20 0.34
KCNH2 Q12809 3/20 0.34
SCN9A Q15858 3/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
CYP1A2 P05177 2/20 0.32
SCN7A Q01118 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.32
FFAR1 O14842 1/20 0.32
CHRM5 P08912 1/20 0.32
LIPE Q05469 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
SCHEMBL7989179 0.87 PDE4A (0.37) MAPK8MAPK10PDE4AKCNH2SCN9A
SCHEMBL7991272 0.82 LMNA (0.50) PDE4ASCN9ALMNA
SCHEMBL7977060 0.82 HSPB1 (0.48) LMNA
SCHEMBL7976870 0.80 PDE4A (0.56) PDE4AKCNH2
SCHEMBL7381889 0.78 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7994597 0.77 LMNA (0.43) MAPK8MAPK10PDE4ALMNALIPE
SCHEMBL7991148 0.74 PDE4A (0.34) MAPK8MAPK10PDE4ASCN9ASCN10A
SCHEMBL5942690 0.73 PDE4A (0.40) PDE4AKCNH2
SCHEMBL7991436 0.70 PDE4A (0.38) PDE4AKCNH2
SCHEMBL7977065 0.70 LMNA (0.51) PDE4ASCN9ASCN10ALMNA

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
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed