SCHEMBL30571124

SCHEMBL30571124

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.48
▸ CALCRL Q16602 4/20 0.45
▸ CAPN1 P07384 4/20 0.44
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ NTSR2 O95665 4/20 0.41
▸ NTSR1 P30989 4/20 0.41
▸ SORT1 Q99523 3/20 0.41
▸ CTSB P07858 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ OXTR P30559 1/20 0.40
▸ AGTR1 P30556 1/20 0.39

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
SCHEMBL30571156 0.87 NPY2R (0.43) XIAPCALCRLCAPN1NTSR1PTPN1
SCHEMBL29611631 0.86 NTSR1 (0.50) NTSR2NTSR1SORT1OXTRAGTR1
SCHEMBL29638071 0.86 CAPN1 (0.47) XIAPCALCRLCAPN1NTSR1CTSB
SCHEMBL30722283 0.84 CAPN1 (0.48) XIAPCALCRLCAPN1NTSR2NTSR1
SCHEMBL31281377 0.83 CALCRL (0.51) XIAPCALCRLCAPN1
SCHEMBL38663937 0.83 XIAP (0.60) XIAPCALCRLCAPN1NTSR2NTSR1
SCHEMBL29611475 0.82 CALCRL (0.44) CALCRLCAPN1NTSR2NTSR1SORT1
SCHEMBL29799173 0.81 CALCRL (0.49) XIAPCALCRLCAPN1NTSR2NTSR1
SCHEMBL31013466 0.81 XIAP (0.50) XIAPCALCRLMAPK8MAPK9MAPK10
SCHEMBL30067104 0.81 PTPN1 (0.48) CALCRLCAPN1NTSR2NTSR1PTPN1

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-20230263881-A1 Vaccine compositions for SARS-related coronaviruses and methods of use ASCIONE RICHARD (US) 2023-08-24 — — US disclosed
Send feedback