SCHEMBL10378950

SCHEMBL10378950

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.48
CALCRL Q16602 4/20 0.43
NTSR2 O95665 6/20 0.43
NTSR1 P30989 6/20 0.43
SORT1 Q99523 6/20 0.43
XIAP P98170 1/20 0.41
KDM1A O60341 3/20 0.40
CXCR4 P61073 1/20 0.40
MAOB P27338 1/20 0.40
KDM5A P29375 1/20 0.40
KDM1B Q8NB78 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 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
SCHEMBL10378610 0.95 EPHA2 (0.49) EPHA2CALCRLNTSR2NTSR1SORT1
SCHEMBL8969918 0.94 EPHA2 (0.49) EPHA2CALCRLNTSR2NTSR1SORT1
SCHEMBL10378224 0.93 EPHA2 (0.48) EPHA2CALCRLNTSR2NTSR1SORT1
SCHEMBL8970642 0.92 EPHA2 (0.47) EPHA2CALCRLNTSR2NTSR1SORT1
SCHEMBL10377176 0.91 EPHA2 (0.49) EPHA2CALCRLKDM1ACXCR4MAOB
SCHEMBL10435105 0.90 EPHA2 (0.51) EPHA2CALCRLKDM1ACXCR4OPRM1
SCHEMBL7785522 0.89 OPRM1 (0.43) EPHA2NTSR2NTSR1SORT1XIAP
SCHEMBL7788531 0.87 CXCR4 (0.45) EPHA2NTSR2NTSR1SORT1XIAP
SCHEMBL7785535 0.85 NTSR2 (0.42) EPHA2NTSR2NTSR1SORT1OPRM1
SCHEMBL10533153 0.85 EPHA2 (0.49) EPHA2CALCRLNTSR2NTSR1SORT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361977-A2 Peptides having T cell suppressor activity IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1990-04-04 EP claimed
WO-1990003180-A1 PEPTIDES HAVING T CELL SUPPRESSOR ACTIVITY IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1990-04-05 WO disclosed
EP-0361977-A2 Peptides having T cell suppressor activity IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1990-04-04 EP disclosed