SCHEMBL9495487

SCHEMBL9495487

CC(=O)Cl.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSB P07858 2/20 0.55
GNPAT O15228 1/20 0.55
CTSL P07711 1/20 0.55
ACE P12821 1/20 0.53
REN P00797 5/20 0.52
AKT1 P31749 1/20 0.49
ECE1 P42892 1/20 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
SCHEMBL3789929 0.96 CTSS (0.59) CTSSCTSKCTSBGNPATCTSL
SCHEMBL29839818 0.96 CTSS (0.59) CTSSCTSKCTSBGNPATCTSL
SCHEMBL3789933 0.96 CTSS (0.59) CTSSCTSKCTSBGNPATCTSL
SCHEMBL9495480 0.92 CTSS (0.53) CTSSCTSKCTSBGNPATCTSL
SCHEMBL30402156 0.92 CTSS (0.55) CTSSCTSKCTSBGNPATCTSL
SCHEMBL11038198 0.92 ACE (0.60) CTSSCTSKCTSBGNPATCTSL
SCHEMBL11038196 0.92 ACE (0.60) CTSSCTSKCTSBGNPATCTSL
SCHEMBL30977093 0.90 REN (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL28668852 0.90 REN (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL30424553 0.90 REN (0.65) CTSSCTSKCTSBCTSLACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313969-B1 TRIPEPTIDE DERIVATIVES AND ANTIPLASMIN AGENTS CONTAINING THE SAME NITTO BOSEKI CO., LTD. (JP) 1993-03-24 EP disclosed
US-4883863-A FROM LYSINE OR TYROSINE, PHENYLALANINE AND LYSINE, HEMOSTATIC AGENTS NITTO BOSEKI CO., LTD. (JP) 1989-11-28 US disclosed
EP-0313969-A2 Tripeptide derivatives and antiplasmin agents containing the same NITTO BOSEKI CO., LTD. (JP) 1989-05-03 EP disclosed