SCHEMBL433154

SCHEMBL433154

CC(C)COC(=O)N1CC(Oc2ncc(Cl)cc2NC(=O)c2ccnc(Cl)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.39
TACR3 P29371 1/20 0.38
GSK3B P49841 7/20 0.37
MAPT P10636 5/20 0.37
IP6K1 Q92551 1/20 0.36
KIT P10721 1/20 0.36
GSK3A P49840 3/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
POLB P06746 1/20 0.35
HRH1 P35367 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35

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 0.90 HDAC2 (0.39) HDAC2TACR3GSK3BMAPTKIT
SCHEMBL432425 0.88 HDAC2 (0.39) HDAC2GSK3BMAPTKITPREP
SCHEMBL434448 0.86 HDAC2 (0.40) HDAC2KITPREPFAPTAS1R3
SCHEMBL433153 0.86 ANO1 (0.39) TACR3GSK3BMAPTGSK3ATAS1R3
SCHEMBL431125 0.78 SLC6A3 (0.45) GSK3BMAPTGSK3ATAS1R3TAS1R1
SCHEMBL432998 0.77 TAS1R3 (0.39) HDAC2TAS1R3TAS1R1TAS1R2
SCHEMBL433156 0.76 MDM2 (0.42) HDAC2KITPOLBHRH1SLC6A15
SCHEMBL432986 0.76 MAPT (0.37) TACR3GSK3BMAPTGSK3APOLB
SCHEMBL432987 0.76 MAPT (0.37) TACR3GSK3BMAPTGSK3APOLB
SCHEMBL432002 0.74 TAS1R3 (0.38) GSK3BGSK3ATAS1R3TAS1R1TAS1R2

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