SCHEMBL8614995

SCHEMBL8614995

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.52
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.48
BACE1 P56817 3/20 0.47
REN P00797 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
HTRA1 Q92743 3/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
PSMB11 A5LHX3 1/20 0.44
PSMA7 O14818 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMA1 P25786 1/20 0.44
PSMA2 P25787 1/20 0.44
PSMA3 P25788 1/20 0.44
PSMA4 P25789 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 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
SCHEMBL8613804 0.94 CTSS (0.50) CTSDCTSBCTSKRENKMT2A
SCHEMBL8620934 0.94 CTSD (0.55) CTSDCTSBCTSKBACE1REN
SCHEMBL8614984 0.89 CTSD (0.49) CTSDCTSBCTSKBACE1REN
SCHEMBL8617778 0.88 CTSS (0.56) CTSDCTSBCTSKRENKMT2A
SCHEMBL8620133 0.85 CTSS (0.55) CTSDCTSBCTSKRENKMT2A
Hydrochloric Acid SCHEMBL8616110 0.84 CTSB (0.45) CTSDCTSBCTSK
SCHEMBL8613599 0.81 CTSD (0.56) CTSDCTSBCTSKRENKMT2A
SCHEMBL8613619 0.79 CTSD (0.53) CTSDCTSBCTSKRENKMT2A
SCHEMBL8613316 0.78 PSMB8 (0.52) CTSDCTSBCTSKRENCTSS
SCHEMBL8616203 0.78 CTSS (0.47) CTSDCTSBCTSKRENKMT2A

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