SCHEMBL11569034

SCHEMBL11569034

CCOC(=O)C1CCCC1NC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
JAK1 P23458 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5656187 0.86 PSEN1 (0.55) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL14534581 0.83 TAS1R3 (0.48) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL14539583 0.83 PSEN1 (0.51) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL5658096 0.81 PSEN1 (0.50) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL5658089 0.81 PSEN1 (0.50) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL5658093 0.81 PSEN1 (0.50) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL4495502 0.79 JAK1 (0.46) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL5713042 0.78 TAS1R3 (0.41) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL8441969 0.78 TAS1R3 (0.43) TAS1R3TAS1R1PSEN1PSEN2APH1B
SCHEMBL13712968 0.78 TAS1R3 (0.46) TAS1R3TAS1R1PSEN1PSEN2APH1B

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
US-4170465-A PRE- AND POST- EMERGENCE HERBICIDES ROUSSEL UCLAF (FR) 1979-10-09 US disclosed