SCHEMBL6677690

SCHEMBL6677690

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

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.73
CTSS P25774 1/20 0.67
CTSK P43235 1/20 0.67
MME P08473 7/20 0.65
ACE P12821 4/20 0.59
CPA1 P15085 4/20 0.59
ACE2 Q9BYF1 4/20 0.59
PAM P19021 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL27817100 1.00 GNPAT (0.73) GNPATCTSSCTSKMMEACE
SCHEMBL1081111 1.00 GNPAT (0.73) GNPATCTSSCTSKMMEACE
SCHEMBL5692056 1.00 GNPAT (0.73) GNPATCTSSCTSKMMEACE
Afalanine SCHEMBL8587729 0.93 CTSS (0.65) GNPATCTSSCTSKMMEACE
Afalanine SCHEMBL158613 0.93 CTSS (0.65) GNPATCTSSCTSKMMEACE
Afalanine SCHEMBL331330 0.93 CTSS (0.65) GNPATCTSSCTSKMMEACE
Afalanine SCHEMBL158612 0.93 CTSS (0.65) GNPATCTSSCTSKMMEACE
SCHEMBL5997104 0.93 MME (0.66) GNPATCTSSCTSKMMEACE
SCHEMBL15692299 0.93 MME (0.66) GNPATCTSSCTSKMMEACE
SCHEMBL15692300 0.93 MME (0.66) GNPATCTSSCTSKMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102124124-B Enhanced Endotoxin Detection BIODTECH INC 2014-09-03 CN disclosed
WO-2014060480-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-04-24 WO disclosed
CN-102124124-A Enhanced Endotoxin Detection BIODTECH INC 2011-07-13 CN disclosed
WO-2004007417-A1 ENZYME INHIBITORS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2004-01-22 WO disclosed
US-4048305-A PHENYLALANINE, HISTIDINE DR. L. ZAMBELETTI S.P.A. (IT) 1977-09-13 US disclosed