SCHEMBL4738757

SCHEMBL4738757

CC(C)(C)Cn1cnc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ KDM5A P29375 3/20 0.36
▸ KDM5B Q9UGL1 3/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ CNR2 P34972 1/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ CPB2 Q96IY4 2/20 0.32
▸ RBP4 P02753 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL4735033 0.92 PLA2G4A (0.36) PLA2G4AKDM4EKDM5AKDM5BKDM4A
SCHEMBL4733881 0.80 GABRG2 (0.35) SMYD3
SCHEMBL151394 0.79 SMYD3 (0.50) PLA2G4AKDM4EKDM5AKDM5BSMYD3
SCHEMBL3689829 0.77 PLA2G4A (0.40) PLA2G4AKDM4EKDM5AKDM5BKDM4C
SCHEMBL710279 0.76 KDM5A (0.54) PLA2G4AKDM4EKDM5AKDM5BKDM4C
SCHEMBL4735031 0.76 SCD (0.32) CNR2
SCHEMBL4901656 0.76 PLA2G4A (0.39) PLA2G4AKDM4EKDM5AKDM5BKDM4C
SCHEMBL3690823 0.76 PLA2G4A (0.39) PLA2G4AKDM4EKDM5AKDM5BKDM4A
SCHEMBL4590582 0.76 PLA2G4A (0.42) PLA2G4AKDM4EKDM5AKDM5BKDM4A
SCHEMBL25235849 0.75 CPB2 (0.47) PLA2G4AKDM4EKDM5AKDM5BSMYD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
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