SCHEMBL8527138

SCHEMBL8527138

CCOC(=O)CNC(=O)NCc1ccc(CCNC(=O)[C@H](C)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 6/20 0.64
PPIB P23284 1/20 0.64
PPIA P62937 1/20 0.64
PPIG Q13427 1/20 0.64
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CARM1 Q86X55 4/20 0.41
PRMT6 Q96LA8 4/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPY1R P25929 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40

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
SCHEMBL8527136 0.83 PPID (0.62) PPIDPPIBPPIAPPIGEPHX1
SCHEMBL2037313 0.79 PPID (0.75) PPIDPPIBPPIAPPIGLMNA
SCHEMBL15832153 0.79 NPC1 (0.60) PPIDPPIBPPIAPPIGLMNA
SCHEMBL2044119 0.79 PPID (1.00) PPIDPPIBPPIAPPIGEPHX1
SCHEMBL14617663 0.78 PPID (0.78) PPIDPPIBPPIAPPIGLMNA
SCHEMBL2034584 0.77 PPID (0.57) PPIDPPIBPPIAPPIGGLA
Hydrochloric Acid SCHEMBL8136996 0.77 PPID (0.77) PPIDPPIBPPIAPPIGHTT
SCHEMBL2034522 0.77 PPID (0.76) PPIDPPIBPPIAPPIGLMNA
SCHEMBL177524 0.77 PPID (0.67) PPIDPPIBPPIAPPIG
SCHEMBL12643634 0.76 PPID (0.74) PPIDPPIBPPIAPPIGLMNA

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed