SCHEMBL6547633

SCHEMBL6547633

CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(NC(=N)N[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.42
PPARG P37231 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
S1PR3 Q99500 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL7242543 0.88 HDAC4 (0.39) BACE1CTSSCTSKHDAC4HDAC1
SCHEMBL6679014 0.85 HDAC4 (0.41) BACE1CTSSCTSKHDAC4HDAC1
SCHEMBL6547640 0.81 PPARG (0.39) BACE1PPARGCTSSCTSKS1PR3
SCHEMBL6676268 0.81 CA1 (0.39) BACE1CTSSCTSKHDAC4HDAC1
SCHEMBL6689701 0.77 RXFP1 (0.42) HDAC1ALDH1A1MAPTHDAC3HDAC2
SCHEMBL6677825 0.76 PRMT1 (0.39) PPARGCTSSCTSKALDH1A1PRMT1
SCHEMBL6679736 0.76 GLS (0.46) HDAC1MAPT
SCHEMBL6548407 0.75 PPARG (0.62) BACE1PPARG
SCHEMBL6548418 0.75 PPARG (0.62) BACE1PPARG
SCHEMBL6686311 0.74 HDAC8 (0.46) PPARGCTSSCTSKKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142317-A1 Use of amino acid transporter atbo,+ as a delivery system for drugs and prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-07-22 US claimed
US-20040142317-A1 Use of amino acid transporter atbo,+ as a delivery system for drugs and prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-07-22 US disclosed
EP-1384081-A2 USE OF AMINO ACID TRANSPORTER ATB0,+ AS A DELIVERY SYSTEM FOR DRUGS AND PRODRUGS Medical College Of Georgia Research Institute, Inc. (US) 2004-01-28 EP disclosed
WO-2002083060-A2 USE OF AMINO ACID TRANSPORTER ATB0,+ AS A DELIVERY SYSTEM FOR DRUGS AND PRODRUGS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2002-10-24 WO disclosed