SCHEMBL7339057

SCHEMBL7339057

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.65
LAP3 P28838 1/20 0.58
MAOB P27338 2/20 0.52
PPARG P37231 4/20 0.52
PPARA Q07869 3/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
LNPEP Q9UIQ6 3/20 0.50
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PPARD Q03181 1/20 0.50

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
SCHEMBL7338844 1.00 LTA4H (0.65) LTA4HLAP3MAOBPPARGPPARA
SCHEMBL7338836 1.00 LTA4H (0.65) LTA4HLAP3MAOBPPARGPPARA
SCHEMBL7991533 0.90 LTA4H (0.55) LTA4HLAP3MAOBPPARGPPARA
SCHEMBL7341088 0.90 MAOB (0.55) LTA4HLAP3MAOBPPARAFFAR1
SCHEMBL7341100 0.90 MAOB (0.55) LTA4HLAP3MAOBPPARAFFAR1
SCHEMBL12656179 0.89 LTA4H (0.60) LTA4HLAP3MAOBPPARGPPARA
SCHEMBL7806363 0.88 LTA4H (0.56) LTA4HLAP3MAOBPPARGPPARA
SCHEMBL594132 0.88 SLC7A5 (0.58) LTA4HPTGS1
SCHEMBL314142 0.88 SLC7A5 (0.58) LTA4HPTGS1
SCHEMBL1221379 0.88 SLC7A5 (0.58) LTA4HPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed