SCHEMBL9801239

SCHEMBL9801239

CC(O)CN1CCOC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
KDM1A O60341 1/20 0.38
GLRA1 P23415 1/20 0.36
USP2 O75604 1/20 0.35
DRD1 P21728 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20921432 0.85 PIK3CD (0.42) PDK1KDM1AGLRA1DRD1KDM4E
SCHEMBL18556758 0.85 PIK3CD (0.42) PDK1KDM1AGLRA1DRD1KDM4E
SCHEMBL17828068 0.85 PIK3CD (0.42) PDK1KDM1AGLRA1DRD1KDM4E
SCHEMBL16445720 0.82 ATM (0.46) PDK1KDM1AGLRA1USP2DRD1
SCHEMBL932483 0.81 PDK1 (0.40) PDK1KDM1AGLRA1DRD1KDM4E
SCHEMBL6276204 0.81 L3MBTL1 (0.34) PDK1KDM4EALDH1A1MAPK1MEN1
SCHEMBL26817757 0.79 PDK1 (0.44) PDK1KDM1AGLRA1DRD1
SCHEMBL8227861 0.79 PDK1 (0.38) PDK1KDM1AGLRA1DRD1
Hydrochloric Acid SCHEMBL6549658 0.79 ALDH1A1 (0.34) USP2KDM4EALDH1A1GAA
SCHEMBL9801635 0.79 DRD3 (0.34) PDK1USP2ALDH1A1

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed