Leucine

Leucine

SCHEMBL28042299

CC(C)C[C@H](N)C(=O)O.CCOc1cc(C(CS(C)(=O)=O)NC(C)=O)ccc1OC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
PDE4B Q07343 13/20 0.46
PDE4A P27815 9/20 0.46
PDE4C Q08493 9/20 0.46
PDE4D Q08499 9/20 0.46
HTR2B P41595 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
Leucine SCHEMBL15194106 1.00 LMNA (0.46) LMNAPDE4BPDE4APDE4CPDE4D
D-Leucine SCHEMBL15300397 1.00 LMNA (0.46) LMNAPDE4BPDE4APDE4CPDE4D
Valine SCHEMBL19097377 0.90 LMNA (0.47) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL15198848 0.89 LMNA (0.56) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL15198849 0.89 LMNA (0.56) LMNAPDE4BPDE4APDE4CPDE4D
Leucine SCHEMBL18074074 0.86 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHTR2B
Leucine SCHEMBL18074075 0.86 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHTR2B
Levacetylleucine SCHEMBL756572 0.84 LMNA (0.45) LMNAPDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL7084218 0.84 LMNA (0.45) LMNAPDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL21229236 0.84 LMNA (0.45) LMNAPDE4BPDE4APDE4CPDE4D

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
CN-105004693-A Tablets containing Apremilast active ingredients and vitro dissolution determination method thereof NANJING HEALTHNICE MEDICAL TECHNOLOGY CO LTD 2015-10-28 CN disclosed