SCHEMBL7099862

SCHEMBL7099862

CC(C)(C)OC(=O)NC(C(=O)O)C(OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.58
PPARG P37231 4/20 0.53
ATM Q13315 1/20 0.52
CTSS P25774 4/20 0.52
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SYK P43405 1/20 0.49
ACE P12821 1/20 0.48
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
APP P05067 2/20 0.47
PPARD Q03181 2/20 0.45

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
SCHEMBL7099865 1.00 PPARA (0.58) PPARAPPARGATMCTSSSLC1A3
SCHEMBL400187 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL2212074 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL1414710 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL12018371 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL3449019 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL400186 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL1414711 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
SCHEMBL12055688 0.87 PPARA (0.55) PPARAPPARGATMCTSSMEN1
Hydrochloric Acid SCHEMBL28347451 0.86 PPARA (0.54) PPARAPPARGATMCTSSMEN1

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
EP-0990640-B1 Beta-Hydroxyaspartic acid derivatives SUNTORY LTD (JP) 2003-01-22 EP disclosed
EP-0844234-B1 Beta-hydroxyaspartic acid derivatives SUNTORY LTD (JP) 2002-03-06 EP disclosed
US-6147113-A ADMINISTERING TO TREAT NERVOUS SYSTEM AND BRAIN DISORDERS; GLUTAMATE UPTAKE INHIBITORS SUNTORY LIMITED (JP) 2000-11-14 US disclosed
EP-0990640-A2 Beta-Hydroxyaspartic acid derivatives SUNTORY LIMITED (JP) 2000-04-05 EP disclosed
EP-0948962-A2 Beta-hydroxyaspartic acid derivatives SUNTORY LIMITED (JP) 1999-10-13 EP disclosed
EP-0844234-A2 Beta-hydroxyaspartic acid derivatives SUNTORY LIMITED (JP) 1998-05-27 EP disclosed