SCHEMBL30997482

SCHEMBL30997482

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.52
POLB P06746 1/20 0.44
ELANE P08246 9/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACE P12821 1/20 0.39
PTPN1 P18031 1/20 0.38
CMA1 P23946 1/20 0.38
MLX Q9UH92 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2863604 0.88 XIAP (0.50) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL29692652 0.88 XIAP (0.50) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL29790147 0.88 XIAP (0.50) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL2863596 0.88 XIAP (0.50) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL23071546 0.88 XIAP (0.50) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL29946060 0.84 ACE (0.47) XIAPELANEACECMA1LMNA
SCHEMBL29993851 0.84 XIAP (0.48) XIAPPOLBKMT2AL3MBTL1ACE
SCHEMBL31195356 0.84 CAPN1 (0.43) XIAPELANEACELMNA
SCHEMBL30052896 0.83 XIAP (0.64) XIAPPOLBELANEKMT2AL3MBTL1
SCHEMBL29985759 0.83 PREP (0.44) ACE

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 US disclosed