SCHEMBL7798874

SCHEMBL7798874

CON=C(C(C)=NO)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
CHEK2 O96017 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 3/20 0.40
GCGR P47871 1/20 0.40
MAOB P27338 2/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
KIF11 P52732 1/20 0.37
F10 P00742 1/20 0.36
RAB9A P51151 1/20 0.36
P2RY1 P47900 1/20 0.36
BTK Q06187 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7797156 0.83 LTA4H (0.39) LTA4HCHEK2MAPK14MAPTGCGR
SCHEMBL7797160 0.83 LTA4H (0.39) LTA4HCHEK2MAPK14MAPTGCGR
SCHEMBL6839169 0.82 MAOB (0.63) MAPTMAOBL3MBTL1
SCHEMBL7795135 0.82 MAOB (0.63) MAPTMAOBL3MBTL1
SCHEMBL6839961 0.82 MAOB (0.63) MAPTMAOBL3MBTL1
SCHEMBL7522306 0.80 PTGS1 (0.39) MAPTMAOB
SCHEMBL7522304 0.80 PTGS1 (0.39) MAPTMAOB
SCHEMBL7498154 0.76 HIF1A (0.57) CHEK2MAPK14MAPTGCGRMAOB
SCHEMBL11071994 0.75 MAOB (0.63) LTA4HCHEK2MAPK14MAPTMAOB
SCHEMBL8182324 0.75 MAPK14 (0.40) LTA4HCHEK2MAPK14MAPTGCGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912499-B1 PESTICIDES BAYER AG (DE) 2001-12-12 EP disclosed
US-6288071-B1 FUNGICIDES, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
EP-0912499-A1 PESTICIDES Novartis AG (CH) 1999-05-06 EP disclosed
WO-1997047592-A1 PESTICIDES NOVARTIS AG (CH) 1997-12-18 WO disclosed