SCHEMBL27427641

SCHEMBL27427641

CC(C)(C)OC(=O)C1(C)CN(N)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL28851627 0.84 CYP4F2 (0.35) CYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL28851626 0.84 CYP4F2 (0.35) CYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL18220605 0.82 CYP4F2 (0.34) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL26103357 0.81 CYP4F2 (0.35) CYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL15797279 0.78 CYP4F2 (0.35) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL5722406 0.72 FFAR3 (0.39) CYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL18195617 0.72 CYP4F2 (0.37) CYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL21564990 0.71 FFAR3 (0.37) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL28675361 0.71 DGAT1 (0.31)
SCHEMBL18195616 0.71 SCN1A (0.39) CYP4F2CYP4A11USP2SMN1; SMN2

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
CN-1111629-A 5-vinyl-, 5-ethynylquinolone-and 5-vinyl-, 5-ethynylnaphthyridonecarboxylic acids BAYER AG (DE) 1995-11-15 CN disclosed