SCHEMBL8734455

SCHEMBL8734455

CC(C)CCNCC(O)C(Cc1ccccc1)NC(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
BACE1 P56817 6/20 0.52
SLC6A11 P48066 1/20 0.52
CTSD P07339 1/20 0.49
BCHE P06276 4/20 0.48
PSMB5 P28074 1/20 0.48
ATM Q13315 1/20 0.48
ANPEP P15144 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7647681 1.00 L3MBTL1 (0.52) L3MBTL1BACE1SLC6A11CTSDBCHE
SCHEMBL8731471 0.89 BACE1 (0.55) L3MBTL1BACE1SLC6A11BCHEPSMB5
SCHEMBL8732014 0.87 BACE1 (0.55) BACE1SLC6A11BCHEATMANPEP
SCHEMBL6893263 0.87 BACE1 (0.51) BACE1SLC6A11CTSDBCHEANPEP
SCHEMBL5439744 0.87 BACE1 (0.51) BACE1SLC6A11CTSDBCHEANPEP
SCHEMBL5439746 0.87 BACE1 (0.51) BACE1SLC6A11CTSDBCHEANPEP
SCHEMBL8729415 0.86 BACE1 (0.67) BACE1SLC6A11BCHEATMANPEP
SCHEMBL8955274 0.84 BACE1 (0.57) L3MBTL1BACE1SLC6A11BCHEATM
Hydrochloric Acid SCHEMBL5387276 0.82 BACE1 (0.51) BACE1SLC6A11CTSDBCHE
SCHEMBL8734450 0.82 BCHE (0.68) BACE1SLC6A11CTSDBCHEATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708004-A ENZYME INHIBITORS FOR TREATMENT OF AIDS MONSANTO COMPANY (US) 1998-01-13 US disclosed
US-5703076-A TREATING HIV, AIDS G. D. SEARLE & CO. (US) 1997-12-30 US 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