SCHEMBL8613804

SCHEMBL8613804

CC[C@H](C)[C@H](NCc1ccccc1)C(=O)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.50
CTSK P43235 5/20 0.50
CTSD P07339 5/20 0.50
CTSB P07858 3/20 0.50
CTSL P07711 1/20 0.50
KMT2A Q03164 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
BCL2 P10415 1/20 0.45
AKT1 P31749 1/20 0.45
ATM Q13315 1/20 0.45
REN P00797 3/20 0.44
ACE P12821 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL8614995 0.94 CTSD (0.52) CTSSCTSKCTSDCTSBCTSL
SCHEMBL8617778 0.94 CTSS (0.56) CTSSCTSKCTSDCTSBCTSL
SCHEMBL8620133 0.91 CTSS (0.55) CTSSCTSKCTSDCTSBCTSL
SCHEMBL8620934 0.87 CTSD (0.55) CTSSCTSKCTSDCTSBCTSL
Hydrochloric Acid SCHEMBL8616110 0.84 CTSB (0.45) CTSKCTSDCTSBHDAC8ACE
SCHEMBL8614984 0.82 CTSD (0.49) CTSSCTSKCTSDCTSBCTSL
SCHEMBL18766806 0.82 CTSS (0.67) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL18766807 0.82 CTSS (0.67) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL8613316 0.82 PSMB8 (0.52) CTSSCTSKCTSDCTSBCTSL
SCHEMBL8616203 0.81 CTSS (0.47) CTSSCTSKCTSDCTSBCTSL

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
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed