SCHEMBL9838544

SCHEMBL9838544

CC(C)(COCc1ccc(F)c(Oc2ccc(Br)cc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.37
HTR2A P28223 6/20 0.37
KCNH2 Q12809 6/20 0.37
CCR5 P51681 6/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAPK14 Q16539 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL9558421 0.91 HTR2A (0.41) SLC6A4HTR2AKCNH2MAOAMAOB
SCHEMBL9557909 0.90 MEN1 (0.40) SLC6A4HTR2AKCNH2MAOAMAOB
SCHEMBL10835390 0.90 TACR1 (0.36) SLC6A4MAOB
SCHEMBL10837125 0.89 MAPT (0.40) SLC6A4MAOAMAOBPPARGPPARA
SCHEMBL9029398 0.88 TTR (0.39) SLC6A4HTR2AKCNH2GRIN2DGRIN3B
SCHEMBL10837041 0.88 MAPT (0.43) SLC6A4HTR2AKCNH2MAOAMAOB
SCHEMBL10361439 0.86 SLC6A4 (0.34) SLC6A4MAOAMAOB
SCHEMBL10360768 0.84 HTR2A (0.39) SLC6A4HTR2AKCNH2MAOAMAOB
SCHEMBL9558237 0.84 SLC6A4 (0.40) SLC6A4HTR2AKCNH2MAOB
SCHEMBL10837117 0.83 NPC1 (0.38) MAPK14PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58055402-A None JP disclosed
JP-58049303-A None JP disclosed
JP-58062104-A None JP disclosed
JP-58065204-A None JP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
JP-S5865204-A INSECTICIDAL AND ACARICIDAL COMPOSITION MITSUI TOATSU CHEM INC 1983-04-18 JP disclosed
JP-S5862104-A INSECTICIDAL AND ACARICIDAL COMPOSITION MITSUI TOATSU CHEM INC 1983-04-13 JP disclosed
JP-S5855402-A INSECTICIDAL AND ACARICIDAL COMPOSITION MITSUI TOATSU CHEM INC 1983-04-01 JP disclosed
JP-S5849303-A INSECTICIDAL AND MITICIDAL COMPOSITION MITSUI TOATSU CHEM INC 1983-03-23 JP disclosed