SCHEMBL8620934

SCHEMBL8620934

CC[C@H](C)[C@H](NCc1ccccc1)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.55
BACE1 P56817 5/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.51
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
REN P00797 4/20 0.49

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) CTSDBACE1KMT2AMEN1ATM
SCHEMBL8617778 0.93 CTSS (0.56) CTSDKMT2AATMCTSSCTSL
SCHEMBL8614984 0.92 CTSD (0.49) CTSDBACE1KMT2AMEN1ATM
SCHEMBL8620133 0.89 CTSS (0.55) CTSDKMT2AATMCTSSCTSL
SCHEMBL8613804 0.87 CTSS (0.50) CTSDKMT2AATMCTSSCTSL
SCHEMBL8613599 0.85 CTSD (0.56) CTSDKMT2AMEN1CTSSCTSL
SCHEMBL8612019 0.83 ANPEP (0.47) CTSDBACE1KMT2AMEN1ATM
SCHEMBL8613619 0.83 CTSD (0.53) CTSDKMT2AMEN1CTSSCTSL
SCHEMBL8961019 0.82 ACE (0.60) CTSDKMT2AMEN1ATMCTSS
SCHEMBL8961015 0.82 ACE (0.60) CTSDKMT2AMEN1ATMCTSS

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