SCHEMBL28824274

SCHEMBL28824274

CC(C)C[C@@H](NC(=O)O)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 1/20 0.67
MAPT P10636 1/20 0.62
FOLH1 Q04609 9/20 0.58
LAP3 P28838 3/20 0.55
NAALAD2 Q9Y3Q0 2/20 0.54
PLA2G2A P14555 2/20 0.51
PLA2G5 P39877 2/20 0.51
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL15302480 1.00 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL13838843 1.00 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL28214706 0.86 ALDH1A1 (0.88) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL13785341 0.86 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT
Acetylleucine SCHEMBL282371 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL22355918 0.84 FOLH1 (0.52) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL27847904 0.84 FOLH1 (0.76) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL9438432 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL714003 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL282372 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110652595-B Poly leucine-poly aspartic acid segmented copolymer stereo composite drug-loaded micelle and preparation method thereof 南通大学附属医院 2022-11-29 CN claimed
CN-114805496-B Group of non-ribosomal polypeptide (NRPs) compounds, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-21 CN disclosed
CN-110652595-B Poly leucine-poly aspartic acid segmented copolymer stereo composite drug-loaded micelle and preparation method thereof 南通大学附属医院 2022-11-29 CN disclosed
CN-114805496-A Non-ribosomal polypeptide (NRPs) compounds, preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-07-29 CN disclosed