SCHEMBL8948400

SCHEMBL8948400

CC(C)OC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.58
EHMT2 Q96KQ7 1/20 0.58
NPY2R P49146 2/20 0.52
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ABL1 P00519 1/20 0.47
KCNH2 Q12809 1/20 0.47
TEAD1 P28347 2/20 0.46
EPHX2 P34913 6/20 0.45
HRH1 P35367 1/20 0.44
PKM P14618 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CACNA1B Q00975 1/20 0.43

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
SCHEMBL8199968 0.91 DNMT1 (0.62) DNMT1EHMT2NPY2RTNFNOD2
SCHEMBL7461462 0.88 DNMT1 (0.63) DNMT1EHMT2NPY2RTNFNOD2
SCHEMBL8948429 0.87 DNMT1 (0.50) DNMT1EHMT2TNFNOD2NOD1
SCHEMBL8948348 0.83 HRH1 (0.52) DNMT1EHMT2NPY2RKCNH2TEAD1
SCHEMBL8948410 0.82 DNMT1 (0.53) DNMT1EHMT2NPY2RKCNH2TEAD1
SCHEMBL8792369 0.80 TSHR (0.55) DNMT1EHMT2NPY2RKCNH2TEAD1
SCHEMBL7472985 0.80 LMNA (0.56) DNMT1EHMT2NPY2RKCNH2TEAD1
SCHEMBL8792457 0.78 NPY2R (0.52) DNMT1EHMT2NPY2RKCNH2TEAD1
SCHEMBL8190619 0.78 KCNH2 (0.53) DNMT1EHMT2NPY2RKCNH2TEAD1
SCHEMBL7477007 0.78 KCNH2 (0.62) NPY2RKCNH2HRH1ALDH1A1

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