SCHEMBL11529927

SCHEMBL11529927

CCOC(=O)C(C(=O)OCC)=C(N)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 5/20 0.34
POLB P06746 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL11532124 0.93 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL11533254 0.82 L3MBTL1 (0.35) MEN1KMT2AGAAPOLBRECQL
SCHEMBL11530280 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL9658898 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL11412055 0.76 CYP3A4 (0.42) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL8944648 0.70 MEN1 (0.53) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL5087932 0.69 GAA (0.37) ALDH1A1KMT2AGAAPOLBSMN1; SMN2
SCHEMBL11846467 0.69 GAA (0.43) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL15880150 0.69 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL8201307 0.68 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPSR1GAA

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-4140673-A REACTING 4-AMINO-PIPERIDINES WITH ENOLIC ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed