SCHEMBL7330359

SCHEMBL7330359

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SCN9A Q15858 1/20 0.49
AKT1 P31749 1/20 0.49
PPARA Q07869 2/20 0.49
ATM Q13315 2/20 0.49
PPARG P37231 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
SCHEMBL7330351 1.00 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL7329299 1.00 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL7321445 0.98 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL7321427 0.98 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL7325133 0.82 CTSD (0.57) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL7357804 0.79 KLK5 (0.55) ACECTSSCTSKCTSLCTSB
SCHEMBL7359025 0.79 KLK5 (0.55) ACECTSSCTSKCTSLCTSB
SCHEMBL606309 0.79 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL21473784 0.79 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL7269746 0.79 CTSS (0.70) 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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed