SCHEMBL7364429

SCHEMBL7364429

CC(=O)N(C(=O)C(N)C(C)C)C(C(=O)NC(Cc1ccccc1)C(O)C(O)Cc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
CA2 P00918 1/20 0.41
BACE1 P56817 1/20 0.40
LAP3 P28838 2/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
CTRB1 P17538 2/20 0.38
CTSD P07339 3/20 0.38
CTSE P14091 1/20 0.38
PGC P20142 1/20 0.38

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
SCHEMBL7279585 0.95 CA2 (0.43) RENCA2BACE1LAP3ANPEP
SCHEMBL7270308 0.82 ALDH1A1 (0.42) CTRB1
SCHEMBL7362341 0.81 MAPK1 (0.56) ANPEPRNPEPDNPEPCTRB1
SCHEMBL7361627 0.81 CTSB (0.52)
SCHEMBL7268475 0.78 ANPEP (0.37) RENCA2BACE1LAP3ANPEP
SCHEMBL7298969 0.78 NPC1 (0.51) CA2BACE1LAP3ANPEPRNPEP
SCHEMBL6445202 0.78 NPC1 (0.51) CA2BACE1LAP3ANPEPRNPEP
SCHEMBL7332765 0.78 NPC1 (0.51) CA2BACE1LAP3ANPEPRNPEP
SCHEMBL6444710 0.78 NPC1 (0.51) CA2BACE1LAP3ANPEPRNPEP
SCHEMBL6445073 0.78 NPC1 (0.51) CA2BACE1LAP3ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed