SCHEMBL8620133

SCHEMBL8620133

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.55
CTSK P43235 6/20 0.55
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
KMT2A Q03164 1/20 0.50
CTSD P07339 1/20 0.49
AKT1 P31749 1/20 0.46
ATM Q13315 1/20 0.46
ACE P12821 4/20 0.46
REN P00797 2/20 0.45

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
SCHEMBL8617778 0.95 CTSS (0.56) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8613804 0.91 CTSS (0.50) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8614984 0.91 CTSD (0.49) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8616203 0.90 CTSS (0.47) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8613316 0.90 PSMB8 (0.52) CTSSCTSKCTSLCTSBCTSD
SCHEMBL8620934 0.89 CTSD (0.55) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8614995 0.85 CTSD (0.52) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8613599 0.83 CTSD (0.56) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8612019 0.83 ANPEP (0.47) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL8619117 0.82 REN (0.49) KMT2AREN

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