SCHEMBL6564561

SCHEMBL6564561

CCCC(Br)OC(=O)OC(Br)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35

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
SCHEMBL11327941 0.83
SCHEMBL6564566 0.83
SCHEMBL6152756 0.83
SCHEMBL28666055 0.81
SCHEMBL8722348 0.81 ALDH1A1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9465029 0.78 ZDHHC7 (0.48) TDP1CYP3A4TSHRZDHHC7LCK
Methoxymethane SCHEMBL7865469 0.78 ZDHHC7 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7537810 0.78 CHRM1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3413684 0.76 ALDH1A1 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28002469 0.76 MGAM (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0981958-B1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEM RES (JP) 2004-03-31 EP disclosed
US-6548511-B1 Anilinopyrimidinone derivatives of given formula such as 2-(2,5-bis(trifluoromethyl)phenyl)amino-5-chloro-3-isobutyl-6 -trifluoromethyl-4(3H)-pyrimidinone; controlling pests of agricultural and horticultural products SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-04-15 US disclosed
EP-0981958-A1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-03-01 EP disclosed