SCHEMBL7989179

SCHEMBL7989179

OC(c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
SCN9A Q15858 4/20 0.36
KCNH2 Q12809 3/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
LIPE Q05469 1/20 0.33
SCN7A Q01118 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
SCHEMBL7991052 0.87 MAPK8 (0.34) PDE4AMAPK8MAPK10SCN9AKCNH2
SCHEMBL7977065 0.83 LMNA (0.51) PDE4ASCN9ASCN10ALMNA
SCHEMBL7991261 0.82 HSPB1 (0.48) PDE4ALMNA
SCHEMBL7976870 0.80 PDE4A (0.56) PDE4AKCNH2
SCHEMBL7994597 0.79 LMNA (0.43) PDE4AMAPK8MAPK10LMNALIPE
SCHEMBL7381889 0.78 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7991148 0.78 PDE4A (0.34) PDE4AMAPK8MAPK10SCN9ASCN10A
SCHEMBL7991156 0.75 MEN1 (0.39) PDE4A
SCHEMBL9607474 0.75 PDE2A (0.42) SCN9ASCN10ALMNALIPE
SCHEMBL7367599 0.73 PDE4A (0.43) PDE4AKCNH2

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