SCHEMBL7994597

SCHEMBL7994597

O=C(c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
LIPE Q05469 6/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
VNN1 O95497 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7991282 0.87 LMNA (0.54) LMNALIPEPDE4APDE4BPDE4C
SCHEMBL7994711 0.83 RAB9A (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7989179 0.79 PDE4A (0.37) LMNALIPEPDE4AMAPK8MAPK10
SCHEMBL7991052 0.77 MAPK8 (0.34) LMNALIPEPDE4AMAPK8MAPK10
SCHEMBL18986986 0.75 LMNA (0.56) LMNALIPEVNN1NPC1RAB9A
SCHEMBL5530111 0.75 OPRM1 (0.56) LMNALIPEMAPK8MAPK10SLC6A2
SCHEMBL7908376 0.74 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL10392459 0.73 LMNA (0.59) LMNALIPE
SCHEMBL9607063 0.72 LMNA (0.53) LMNALIPEVNN1HRH3
SCHEMBL7977065 0.72 LMNA (0.51) LMNAPDE4APDE4BPDE4CPDE4D

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