SCHEMBL6270165

SCHEMBL6270165

CCOC(=O)CC(NC=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MMP8 P22894 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
MDM4 O15151 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
F2 P00734 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
PPID Q08752 1/20 0.40

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
SCHEMBL28280509 0.84 NPC1 (0.51) LMNAALDH1A1TSHRCYP3A4NPC1
SCHEMBL5149165 0.81 ALDH1A1 (0.47) LMNAALDH1A1TSHRMMP8KMT2A
SCHEMBL28647877 0.81 ALDH1A1 (0.47) LMNAALDH1A1TSHRMMP8KMT2A
SCHEMBL1144506 0.81 KMT2A (0.52) LMNAALDH1A1TSHRMMP8KMT2A
SCHEMBL1144389 0.81 KMT2A (0.52) LMNAALDH1A1TSHRMMP8KMT2A
SCHEMBL1405716 0.81 KMT2A (0.52) LMNAALDH1A1TSHRMMP8KMT2A
SCHEMBL8121589 0.81 ALDH1A1 (0.47) LMNAALDH1A1TSHRMMP8KMT2A
SCHEMBL14630051 0.80 SMN1; SMN2 (0.49) LMNAALDH1A1TSHRKMT2AMEN1
SCHEMBL16268748 0.79 LMNA (0.51) LMNAALDH1A1TSHRMMP8MDM4
SCHEMBL4800772 0.79 EEF2K (0.47) ALDH1A1KMT2AMEN1MAPTCYP2D6

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
WO-2005095325-A1 PROCESS FOR THE PREPARATION OF β-AMINOCARBOXYLIC ACIDS DEGUSSA AG (DE) 2005-10-13 WO disclosed