SCHEMBL11622909

SCHEMBL11622909

[CH2]N1C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL50791 0.74 GAA (0.39) GAAMEN1KMT2A
SCHEMBL578932 0.74 GAA (0.35) GAAMEN1KMT2A
Ethylene SCHEMBL6158297 0.74 GAA (0.33) GAAMEN1KMT2A
Ethylene SCHEMBL3939551 0.74 GAA (0.36) GAAMEN1KMT2A
Iodide SCHEMBL6292630 0.72 GAA (0.34) GAAMEN1KMT2A
SCHEMBL14493683 0.72 GAA (0.34) GAAMEN1KMT2A
SCHEMBL16504058 0.72 GAA (0.34) GAAMEN1KMT2A
SCHEMBL5853953 0.72 GAA (0.34) GAAMEN1KMT2A
SCHEMBL5853919 0.72 GAA (0.34) GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11333509 0.72 GAA (0.34) GAAMEN1KMT2A

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-4070461-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-01-24 US disclosed