SCHEMBL4733881

SCHEMBL4733881

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 12/20 0.35
▸ GABRB3 P28472 12/20 0.35
▸ GABRA5 P31644 11/20 0.35
▸ GABRA1 P14867 11/20 0.35
▸ GABRA2 P47869 10/20 0.35
▸ GABRA3 P34903 9/20 0.35
▸ GABRA6 Q16445 8/20 0.35
▸ GABRA4 P48169 5/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35
▸ HPGDS O60760 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ CA12 O43570 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
SCHEMBL22290404 0.82 GABRG2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL4738757 0.80 PLA2G4A (0.40) SMYD3
SCHEMBL4735031 0.80 SCD (0.32) —
SCHEMBL4735220 0.79 RBP4 (0.51) HPGDS
SCHEMBL19356955 0.77 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
Trifluoroacetic Acid SCHEMBL4735033 0.74 PLA2G4A (0.36) SMYD3
Trifluoroacetic Acid SCHEMBL4738880 0.74 RBP4 (0.47) —
SCHEMBL31332879 0.72 MEN1 (0.42) SMYD3NOTUM
SCHEMBL22290701 0.71 GABRG2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL23731954 0.70 SMYD3 (0.32) SMYD3NOTUM

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