SCHEMBL30512014

SCHEMBL30512014

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.45
▸ MLX Q9UH92 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ELANE P08246 2/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ CALCRL Q16602 1/20 0.37
▸ NTSR2 O95665 1/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ SORT1 Q99523 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
SCHEMBL29692652 0.93 XIAP (0.50) XIAPMLXPOLBKMT2AL3MBTL1
SCHEMBL29567377 0.88 XIAP (0.47) XIAPMLXPOLBKMT2AL3MBTL1
SCHEMBL29381187 0.87 XIAP (0.43) XIAPNTSR2NTSR1SORT1
SCHEMBL29567397 0.84 ELANE (0.50) XIAPMLXELANEACE
SCHEMBL31615113 0.83 XIAP (0.44) XIAPMLXELANEACECALCRL
SCHEMBL30997482 0.82 XIAP (0.52) XIAPMLXPOLBPTPN1KMT2A
SCHEMBL29411300 0.81 ELANE (0.46) XIAPMLXELANEACECALCRL
SCHEMBL30051407 0.81 KMT2A (0.52) XIAPKMT2AL3MBTL1ACE
SCHEMBL30774346 0.80 REN (0.45) XIAPMLXELANEACE
SCHEMBL29567754 0.79 ELANE (0.48) XIAPMLXELANEACE

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
EP-4440735-A1 A MICROCAPSULE AND METHODS OF MAKING AND USING SAME Vilnius University (LT) 2024-10-09 — — EP disclosed
WO-2023117364-A1 A MICROCAPSULE AND METHODS OF MAKING AND USING SAME VILNIUS UNIVERSITY (LT) 2023-06-29 — — WO disclosed
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