SCHEMBL6547640

SCHEMBL6547640

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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
BACE1 P56817 4/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
S1PR3 Q99500 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 2/20 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
SCHEMBL7243182 0.88 AURKA (0.41) CTSKMAPTGRIN2DGRIN3BGRIN1
SCHEMBL6679019 0.85 HDAC4 (0.39) CTSSCTSKMAPTGRIN2DGRIN3B
SCHEMBL6676274 0.81 CA2 (0.41) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6547633 0.81 BACE1 (0.42) PPARGBACE1CTSSCTSKMAPT
SCHEMBL6676280 0.79 GRIN2D (0.39) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6689704 0.77 RXFP1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6679740 0.76 AURKA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11573224 0.75 CTSK (0.46) PPARGBACE1CTSSCTSKMAPT
SCHEMBL6686317 0.75 ITGB3 (0.49) PPARGCTSSCTSKMAPTKDM4E
SCHEMBL6680723 0.75 CYP3A4 (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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