SCHEMBL6427941

SCHEMBL6427941

CC(C)CCN(CC(O)C(N)Cc1ccccc1)C(=O)NCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.52
ANPEP P15144 2/20 0.52
RNPEP Q9H4A4 2/20 0.52
DNPEP Q9ULA0 2/20 0.52
HPGD P15428 1/20 0.45
SPPL2A Q8TCT8 1/20 0.43
MMP2 P08253 3/20 0.42
CSNK1E P49674 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CTSB P07858 1/20 0.39
REN P00797 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
SCHEMBL5872214 0.85 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL6225204 0.85 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL7398172 0.80 HPGD (0.54) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL4070035 0.79 MMP2 (0.57) LAP3ANPEPRNPEPDNPEPHPGD
SCHEMBL7319349 0.78 LAP3 (0.42) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL3614651 0.77 SPPL2A (0.52) LAP3ANPEPRNPEPDNPEPHPGD
SCHEMBL8159887 0.75 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL5404893 0.75 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL7312717 0.75 SLC15A1 (0.50) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL7312724 0.75 SLC15A1 (0.50) LAP3ANPEPRNPEPDNPEPSPPL2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815856-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 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
EP-0815856-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-01-07 EP 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-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
US-5620977-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-04-15 US disclosed
US-5610190-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
US-5602175-A HYDROXYETHYLAMINE COMPOUNDS; USEFUL IN TREATMENT OF INFECTIONS CAUSED BY THE HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-02-11 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
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed