SCHEMBL8420200

SCHEMBL8420200

CC=CN1CC(C)OC(C)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDK1 Q15118 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL8420199 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL6247128 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL11826634 0.77 PDK1 (0.41) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL38657611 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL3647529 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL294985 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL17010328 0.72 ALDH1A1 (0.64) ALDH1A1L3MBTL1PDK1MEN1KMT2A
SCHEMBL1214529 0.68 L3MBTL1 (0.58) ALDH1A1L3MBTL1MEN1KMT2APKM
SCHEMBL11481807 0.66 SIGMAR1 (0.46) ALDH1A1L3MBTL1PDK1KMT2AEBP
SCHEMBL9958144 0.65 ALDH1A1 (0.41) ALDH1A1L3MBTL1PDK1MEN1KMT2A

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
EP-0585682-B1 Process for the preparation of 2,6-dimethylmorpholine from N-(2-hydroxypropyl)-2,6-dimethylmorpholine BASF AG (DE) 1999-10-06 EP disclosed
US-5436335-A Catalytic dealkylation using group Ib, IIb and group VIII metals BASF AKTIENGESELLSCHAFT (DE) 1995-07-25 US disclosed
EP-0585682-A2 Process for the preparation of 2,6-dimethylmorpholine from N-(2-hydroxypropyl)-2,6-dimethylmorpholine BASF Aktiengesellschaft (DE) 1994-03-09 EP disclosed