SCHEMBL432425

SCHEMBL432425

CC(C)COC(=O)N1CC(Oc2nc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.39
GPR119 Q8TDV5 2/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
RAF1 P04049 1/20 0.34
KIT P10721 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAP3K5 Q99683 1/20 0.34
MYC P01106 2/20 0.34
MAX P61244 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
ACACB O00763 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
SCHEMBL433103 0.89 HDAC2 (0.39) HDAC2GPR119PREPFAPTAS1R3
SCHEMBL434448 0.88 HDAC2 (0.40) HDAC2GPR119PREPFAPTAS1R3
SCHEMBL433154 0.88 HDAC2 (0.39) HDAC2PREPFAPTAS1R3TAS1R1
SCHEMBL432424 0.86 PIK3CD (0.39) GPR119TAS1R3TAS1R1TAS1R2
SCHEMBL432167 0.79 TRPV1 (0.40) GPR119TAS1R3TAS1R1TAS1R2RAF1
SCHEMBL434415 0.78 SLC6A3 (0.45) TAS1R3TAS1R1TAS1R2RAF1GSK3B
SCHEMBL432002 0.76 TAS1R3 (0.38) GPR119TAS1R3TAS1R1TAS1R2POLB
SCHEMBL432998 0.75 TAS1R3 (0.39) HDAC2TAS1R3TAS1R1TAS1R2RAF1
SCHEMBL432745 0.75 SCN9A (0.36) HDAC2MAPTGSK3B
SCHEMBL431263 0.74 HDAC1 (0.37) HDAC2TAS1R3TAS1R1TAS1R2GSK3B

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