SCHEMBL7106967

SCHEMBL7106967

CCCC(CCC)(C(N)=O)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALOX15 P16050 1/20 0.44
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
PKM P14618 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2353115 0.87 MEN1 (0.61) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL7512444 0.83 MEN1 (0.52) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL8053447 0.81 MEN1 (0.50) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL11174634 0.81 MEN1 (0.50) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL3352927 0.79 LMNA (0.43) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL24214239 0.79 MEN1 (0.53) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL29177162 0.79 MEN1 (0.48) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL29082258 0.79 MEN1 (0.53) MEN1KMT2ALMNAHSD17B10CYP4F2
SCHEMBL7509536 0.79 MEN1 (0.53) MEN1KMT2AALOX15LMNAHSD17B10
SCHEMBL17056059 0.78 MEN1 (0.52) MEN1KMT2AALOX15LMNAHSD17B10

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-1046638-B1 Process for the preparation of aminoacid derivatives DEGUSSA (DE) 2003-10-01 EP disclosed
US-6399809-B1 FROM MALONIC ACID MONOESTER AMIDE DEGUSSA AG (DE) 2002-06-04 US disclosed
EP-1046638-A2 Process for the preparation of aminoacid derivatives Degussa-Hüls Aktiengesellschaft (DE) 2000-10-25 EP disclosed