SCHEMBL8613316

SCHEMBL8613316

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMB5 P28074 1/20 0.52
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
PTPN1 P18031 2/20 0.47
F2 P00734 2/20 0.46
OPRD1 P41143 4/20 0.45
CCKBR P32239 4/20 0.45
CCKAR P32238 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSD P07339 1/20 0.44
REN P00797 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL8620133 0.90 CTSS (0.55) CTSSCTSKCTSLCTSBCTSD
SCHEMBL8616203 0.87 CTSS (0.47) PSMB5CTSSCTSKOPRD1CCKBR
SCHEMBL8617778 0.85 CTSS (0.56) CTSSCTSKCTSLCTSBCTSD
SCHEMBL8614984 0.83 CTSD (0.49) PSMB8PSMB9PSMB5CTSSCTSK
SCHEMBL8613804 0.82 CTSS (0.50) CTSSCTSKCTSLCTSBCTSD
SCHEMBL8620934 0.81 CTSD (0.55) CTSSCTSKCTSLCTSBCTSD
SCHEMBL28799353 0.80 CTSS (0.60) PSMB8PSMB9PSMB5CTSSCTSK
SCHEMBL28799360 0.80 CTSS (0.60) PSMB8PSMB9PSMB5CTSSCTSK
SCHEMBL13702233 0.78 ACE (0.59) PSMB8PSMB9PSMB5CTSSCTSK
SCHEMBL16908988 0.78 ACE (0.59) PSMB8PSMB9PSMB5CTSSCTSK

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