SCHEMBL6170451

SCHEMBL6170451

CN(C)CC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.60
PPARA Q07869 4/20 0.58
PPARG P37231 3/20 0.58
EGFR P00533 5/20 0.58
ALOX5 P09917 3/20 0.57
PPARD Q03181 1/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL8214773 0.88 LTA4H (0.61) MAOBPPARAPPARGEGFRALOX5
SCHEMBL28441594 0.85 PPARA (0.62) MAOBPPARAPPARGALOX5PPARD
SCHEMBL8000823 0.83 PPARG (0.63) MAOBPPARAPPARGPPARDFFAR1
SCHEMBL6716294 0.82 PPARA (0.60) MAOBPPARAPPARGALOX5PPARD
SCHEMBL5966473 0.81 PPARG (0.58) MAOBPPARAPPARGPPARDFFAR1
SCHEMBL6483824 0.81 MAOB (0.62) MAOBPPARAPPARGALOX5PPARD
SCHEMBL28860722 0.81 FFAR1 (0.64) PPARAPPARGPPARDFFAR1FFAR4
SCHEMBL28224291 0.81 FFAR1 (0.64) PPARAPPARGPPARDFFAR1FFAR4
SCHEMBL11433596 0.80 MAOB (0.58) MAOBPPARAPPARGALOX5PTGS1
SCHEMBL7632753 0.80 PPARG (0.61) MAOBPPARAPPARGALOX5PPARD

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
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed