SCHEMBL28092553

SCHEMBL28092553

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O.[Fe]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LAP3 P28838 3/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.46
FOLH1 Q04609 2/20 0.44
MME P08473 4/20 0.43
PLA2G2A P14555 2/20 0.43
PLA2G5 P39877 2/20 0.43
LTA4H P09960 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
SCHEMBL28092554 1.00 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL18766260 0.98 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL3402343 0.98 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL29563014 0.98 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL3010040 0.98 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL3010038 0.98 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL16698433 0.95 ALDH1A1 (0.50) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL16698435 0.95 ALDH1A1 (0.50) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL29358488 0.92 ALDH1A1 (0.47) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL31027119 0.91 MME (0.48) ALDH1A1LAP3MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105935110-A Feed of juvenile portunus trituberculatus and preparation method thereof 许成江 2016-09-14 CN claimed
CN-105935110-A Feed of juvenile portunus trituberculatus and preparation method thereof 许成江 2016-09-14 CN disclosed