SCHEMBL433103

SCHEMBL433103

CC(C)COC(=O)N1CC(Oc2nnc(Cl)cc2NC(=O)c2ccnc(Cl)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.39
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
KIT P10721 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAP3K5 Q99683 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
ACACB O00763 2/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HRH1 P35367 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
SCHEMBL433154 0.90 HDAC2 (0.39) HDAC2PREPFAPTAS1R3TAS1R1
SCHEMBL432425 0.89 HDAC2 (0.39) HDAC2PREPFAPTAS1R3TAS1R1
SCHEMBL434448 0.87 HDAC2 (0.40) HDAC2PREPFAPTAS1R3TAS1R1
SCHEMBL432998 0.86 TAS1R3 (0.39) HDAC2TAS1R3TAS1R1TAS1R2
SCHEMBL434455 0.79 SLC6A3 (0.45) TAS1R3TAS1R1TAS1R2MAPK14GSK3B
SCHEMBL433488 0.76 EBP (0.36) TAS1R3TAS1R1TAS1R2POLBMAPT
SCHEMBL433153 0.76 ANO1 (0.39) TAS1R3TAS1R1TAS1R2MAPTGSK3B
SCHEMBL433502 0.75 HDAC2 (0.42) HDAC2KITPOLBHRH1SLC6A15
SCHEMBL432002 0.75 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2POLBGSK3B
SCHEMBL432424 0.74 PIK3CD (0.39) TAS1R3TAS1R1TAS1R2GPR119

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