SCHEMBL432686

SCHEMBL432686

CC(C)COC(=O)N1CC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.39
MAX P61244 2/20 0.39
ACACB O00763 4/20 0.36
GPR119 Q8TDV5 2/20 0.36
HDAC2 Q92769 1/20 0.35
PIK3CD O00329 2/20 0.35
BRS3 P32247 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 1/20 0.34
SCN9A Q15858 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL432685 0.85 ALDH1A1 (0.40) GPR119PIK3CDRORCTRPV1MAPT
SCHEMBL462925 0.80 HDAC2 (0.36) MYCMAXGPR119HDAC2PIK3CD
SCHEMBL1937743 0.72 TXNRD1 (0.39)
SCHEMBL432797 0.72 POLB (0.43) GPR119PIK3CDMAPT
SCHEMBL433752 0.69 TRPV1 (0.41) GPR119HDAC2PIK3CDRORCTRPV1
SCHEMBL6113229 0.68 ALDH1A1 (0.44) GPR119PIK3CDMAPT
SCHEMBL19172446 0.68 MAPT (0.46) MAPTJAK2
SCHEMBL4397750 0.67 GPR119 (0.43) GPR119HRH3TRPV1MAPT
SCHEMBL4649370 0.66 MAPT (0.49) MAPT
SCHEMBL433502 0.65 HDAC2 (0.42) GPR119HDAC2PIK3CDKCNK3KCNK9

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