SCHEMBL8948429

SCHEMBL8948429

CC(C)OC(=O)c1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.50
EHMT2 Q96KQ7 1/20 0.50
CHRM2 P08172 2/20 0.48
CHRM1 P11229 1/20 0.48
LSS P48449 1/20 0.48
HRH1 P35367 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TEAD1 P28347 2/20 0.46
KCNH2 Q12809 1/20 0.46
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
FAAH O00519 1/20 0.44
EPHX2 P34913 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL7997652 0.91 DNMT1 (0.60) DNMT1EHMT2HRH1ALDH1A1TEAD1
SCHEMBL8792457 0.87 NPY2R (0.52) DNMT1EHMT2CHRM2CHRM1LSS
SCHEMBL8948400 0.87 DNMT1 (0.58) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8948348 0.87 HRH1 (0.52) DNMT1EHMT2CHRM2CHRM1HRH1
SCHEMBL8792369 0.83 TSHR (0.55) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL7472985 0.83 LMNA (0.56) DNMT1EHMT2HRH1ALDH1A1TSHR
SCHEMBL8948410 0.81 DNMT1 (0.53) DNMT1EHMT2CHRM2CHRM1LSS
SCHEMBL7461462 0.81 DNMT1 (0.63) DNMT1EHMT2CHRM2CHRM1HRH1
SCHEMBL8190619 0.81 KCNH2 (0.53) DNMT1EHMT2CHRM2CHRM1HRH1
SCHEMBL7477007 0.81 KCNH2 (0.62) CHRM2CHRM1HRH1ALDH1A1KCNH2

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-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US claimed