SCHEMBL8520745

SCHEMBL8520745

COC1CC(C)(C)NC(C)(C)C1.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 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
SCHEMBL451155 0.97 GAA (0.40) GAARECQLATML3MBTL1MEN1
SCHEMBL30728090 0.95 GAA (0.39) GAARECQLATML3MBTL1MEN1
Acetic Acid SCHEMBL987785 0.84 GAA (0.49) GAAUSP2ATML3MBTL1MEN1
SCHEMBL11051607 0.78 GAA (0.41) GAARECQLL3MBTL1MEN1PKM
SCHEMBL15299565 0.77 GAA (0.38) GAARECQLATML3MBTL1
SCHEMBL19035783 0.77
SCHEMBL6663050 0.76 GAA (0.40) GAARECQL
SCHEMBL20261597 0.75
SCHEMBL5501687 0.74 GAA (0.39) GAARECQLMEN1KMT2A
SCHEMBL4258075 0.74 GAA (0.43) GAARECQLATML3MBTL1MEN1

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
EP-0953566-A2 Selective transformation of pyridines with electrophiles BASF AKTIENGESELLSCHAFT (DE) 1999-11-03 EP disclosed