SCHEMBL6548418

SCHEMBL6548418

CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.62
BACE1 P56817 4/20 0.57
MGLL Q99685 1/20 0.54
SYK P43405 1/20 0.49
ENPP2 Q13822 1/20 0.49

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
SCHEMBL6548407 1.00 PPARG (0.62) PPARGBACE1MGLLSYKENPP2
SCHEMBL6549737 0.94 PPARG (0.59) PPARGBACE1MGLLSYKENPP2
SCHEMBL16763519 0.88 MGLL (0.55) PPARGBACE1MGLLSYKENPP2
SCHEMBL16763522 0.88 MGLL (0.55) PPARGBACE1MGLLSYKENPP2
SCHEMBL6897765 0.84 CTSS (0.62) PPARGBACE1SYK
SCHEMBL14090974 0.82 BACE1 (0.56) PPARGBACE1MGLLSYK
SCHEMBL23837230 0.81 CTSS (0.60) PPARGBACE1SYK
SCHEMBL17724519 0.81 CTSS (0.60) PPARGBACE1SYK
SCHEMBL7561033 0.81 CTSS (0.51) PPARGBACE1SYK
SCHEMBL23619660 0.81 CTSS (0.51) PPARGBACE1SYK

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 3 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 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