SCHEMBL9516360

SCHEMBL9516360

CC(C)(C)OC(=O)[N][C@H](C=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.47
PPARA Q07869 5/20 0.47
YAP1 P46937 3/20 0.46
MAOB P27338 2/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
LTA4H P09960 3/20 0.46
PPARD Q03181 2/20 0.46
BCL2 P10415 1/20 0.45
LAP3 P28838 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL5167644 0.89 ATM (0.46)
SCHEMBL4460974 0.77 BCL2 (0.56) PPARGPPARAYAP1LTA4HBCL2
SCHEMBL272162 0.77 BCL2 (0.56) PPARGPPARAYAP1LTA4HBCL2
SCHEMBL5353421 0.77 BCL2 (0.56) PPARGPPARAYAP1LTA4HBCL2
SCHEMBL7323732 0.76 ALDH1A1 (0.49) LTA4HLAP3
SCHEMBL3522492 0.76 PPARA (0.56) PPARGPPARAYAP1MAOBFFAR1
SCHEMBL3522497 0.76 PPARA (0.56) PPARGPPARAYAP1MAOBFFAR1
SCHEMBL7338844 0.75 LTA4H (0.65) PPARGPPARAMAOBFFAR1FFAR4
SCHEMBL7339057 0.75 LTA4H (0.65) PPARGPPARAMAOBFFAR1FFAR4
SCHEMBL7338836 0.75 LTA4H (0.65) PPARGPPARAMAOBFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293071-B1 REDOX AMINO ACIDS AND PEPTIDES CONTAINING THEM UNIVERSITY OF FLORIDA (US) 1993-09-01 EP disclosed
EP-0293071-A1 Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1988-11-30 EP disclosed