SCHEMBL29790122

SCHEMBL29790122

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.49
POLB P06746 1/20 0.45
PTPN1 P18031 1/20 0.42
NTSR1 P30989 5/20 0.38
OPRD1 P41143 3/20 0.36
CALCRL Q16602 4/20 0.36
RAMP1 O60894 1/20 0.35
F2 P00734 2/20 0.35
NTSR2 O95665 3/20 0.35
SORT1 Q99523 2/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23071523 1.00 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2950592 1.00 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2950598 1.00 XIAP (0.49) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL31195358 0.95 XIAP (0.54) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL31195357 0.92 XIAP (0.51) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2868839 0.88 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL29790154 0.88 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL23071552 0.88 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2868843 0.88 XIAP (0.47) XIAPPOLBPTPN1NTSR1OPRD1
SCHEMBL2863604 0.87 XIAP (0.50) XIAPPOLBPTPN1NTSR1F2

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
US-20230203094-A1 Composition Comprising Thermosensitive Gel and Oligopeptide, and Use Thereof INTERNATIONAL FRONTIER TECHNOLOGY LABORATORY, INC. (JP) 2023-06-29 US disclosed
EP-4026841-A1 COMPOSITION CONTAINING THERMOSENSITIVE GEL AND OLIGOPEPTIDE, AND USE THEREOF International Frontier Technology Laboratory Inc. (JP) 2022-07-13 EP disclosed