SCHEMBL6431945

SCHEMBL6431945

CC(C)CCN(CC(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
PSEN1 P49768 11/20 0.52
PSEN2 P49810 11/20 0.52
APH1B Q8WW43 11/20 0.52
NCSTN Q92542 11/20 0.52
APH1A Q96BI3 11/20 0.52
PSENEN Q9NZ42 11/20 0.52
SPPL2A Q8TCT8 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
CYP3A4 P08684 5/20 0.45
KLK5 Q9Y337 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
SCHEMBL6431948 1.00 CTSB (0.55) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL7400099 0.89 REN (0.49) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL8568989 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8564599 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443651 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443658 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329015 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5394908 0.83 MMP1 (0.44) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL5401492 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5872214 0.81 LAP3 (0.48) CTSBPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813868-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-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-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP 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
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-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