SCHEMBL8729343

SCHEMBL8729343

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.45
ANPEP P15144 4/20 0.45
RNPEP Q9H4A4 2/20 0.45
DNPEP Q9ULA0 2/20 0.45
SLC15A1 P46059 1/20 0.39
LTA4H P09960 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.37
CTSS P25774 1/20 0.37
CTRB1 P17538 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ENPEP Q07075 1/20 0.36

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
SCHEMBL7318484 0.88 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8732148 0.79 PSEN1 (0.37) NPC1RAB9A
SCHEMBL21012314 0.74 LAP3 (0.62) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7328902 0.74 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL17595990 0.73 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL20474466 0.73 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8159887 0.72 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL5404893 0.72 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL9064384 0.72 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL7322995 0.71 LAP3 (0.46) LAP3ANPEPRNPEPDNPEPSLC15A1

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-5510378-A Retroviral protease inhibitors 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