SCHEMBL6225271

SCHEMBL6225271

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.51
ANPEP P15144 2/20 0.51
RNPEP Q9H4A4 2/20 0.51
DNPEP Q9ULA0 2/20 0.51
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTRB1 P17538 3/20 0.40
LTA4H P09960 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SLC15A1 P46059 1/20 0.39
BCHE P06276 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL6430008 0.86 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPNPC1
SCHEMBL7547746 0.86 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPNPC1
SCHEMBL9064384 0.77 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL7328902 0.74 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPLTA4H
SCHEMBL7308748 0.73 KLK5 (0.58) SMN1; SMN2
SCHEMBL6446553 0.73 KLK5 (0.58) SMN1; SMN2
SCHEMBL7313404 0.73 KLK5 (0.58) SMN1; SMN2
SCHEMBL7331930 0.72 KLK5 (0.56) SMN1; SMN2
SCHEMBL6931365 0.72 KLK5 (0.56) SMN1; SMN2
SCHEMBL6446144 0.72 KLK5 (0.56) SMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813867-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
EP-0731088-B1 Retroviral protease inhibitors MONSANTO CO (US) 2000-10-04 EP disclosed
EP-0558603-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-08-26 EP disclosed
EP-0558630-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-04-08 EP disclosed
US-5708004-A ENZYME INHIBITORS FOR TREATMENT OF AIDS MONSANTO COMPANY (US) 1998-01-13 US disclosed
EP-0815856-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-01-07 EP disclosed
US-5703076-A TREATING HIV, AIDS G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
EP-0813867-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
EP-0813868-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
US-5698569-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-12-16 US disclosed
US-5510349-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5510487-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5510378-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 US disclosed
US-5475013-A Inhibit human immunodeficiency virus protease MONSANTO COMPANY (US) 1995-12-12 US disclosed
US-5475027-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1995-12-12 US disclosed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed