SCHEMBL23901539

SCHEMBL23901539

CSN[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
FOLH1 Q04609 3/20 0.47
MAPT P10636 1/20 0.46
MME P08473 5/20 0.43
FPR2 P25090 1/20 0.43
LAP3 P28838 2/20 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
SCHEMBL23901487 0.81 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL17305530 0.81 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL25453632 0.80 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL25455583 0.79 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL17305539 0.79 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL24832173 0.79 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL29531487 0.77 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL30050920 0.77 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL30423437 0.77 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL28586133 0.76 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AFOLH1

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-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed