SCHEMBL462925

SCHEMBL462925

CC(C)COC(=O)N1CC(Oc2nc(F)c(Cl)cc2[N+](=O)[O-])C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.34
GPR174 Q9BXC1 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
MYC P01106 2/20 0.32
MAX P61244 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 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
SCHEMBL462924 0.84 GPR119 (0.39) GPR119MAPTALDH1A1PIK3CD
SCHEMBL30044261 0.84 GPR119 (0.39) GPR119MAPTALDH1A1PIK3CD
SCHEMBL432686 0.80 MYC (0.39) HDAC2GPR119MAPTPIK3CDKCNK3
SCHEMBL23580556 0.72 CACNB4 (0.41) GPR119MAPTALDH1A1PIK3CD
SCHEMBL30045189 0.72 CACNB4 (0.41) GPR119MAPTALDH1A1PIK3CD
SCHEMBL433502 0.70 HDAC2 (0.42) HDAC2GPR119PIK3CDMEN1KMT2A
SCHEMBL433156 0.70 MDM2 (0.42) HDAC2GPR119PIK3CD
SCHEMBL4648849 0.69 MAPT (0.48) GPR119MAPTALDH1A1SMN1; SMN2GPR174
SCHEMBL31498898 0.69 ALDH1A1 (0.37) GPR119MAPTALDH1A1MEN1KMT2A
SCHEMBL434940 0.68 CACNB4 (0.41) GPR119MAPTALDH1A1PIK3CD

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
WO-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed