SCHEMBL9805666

SCHEMBL9805666

C[C@@H](C(=O)O)N(C(=O)c1c(Cl)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.50
CTSS P25774 4/20 0.49
CTSK P43235 3/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
AKT1 P31749 1/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 3/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
APP P05067 1/20 0.43
REN P00797 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
SCHEMBL9813178 0.84 CTSS (0.51) ACECTSSCTSKCTSLCTSB
SCHEMBL31326052 0.80 ACE (0.58) ACECTSSCTSKCTSLCTSB
SCHEMBL7264793 0.79 ACE (0.47) ACECTSSCTSKCTSLCTSB
SCHEMBL3559433 0.78 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL3556150 0.78 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL1764798 0.76 CTSS (0.64) ACECTSSCTSKCTSLCTSB
SCHEMBL6162474 0.76 CTSS (0.64) ACECTSSCTSKCTSLCTSB
SCHEMBL66220 0.76 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL21473784 0.76 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL795685 0.76 ACE (0.79) ACECTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259396-B1 PROCESS FOR PEPTIDE PRODUCTION BRADACZEK, Hans (DE) 1991-07-24 EP claimed
US-5047573-A Process for the production of peptides using diacylamines BRADACZEK HANS (DE) 1991-09-10 US disclosed