SCHEMBL7801253

SCHEMBL7801253

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.58
MAOB P27338 5/20 0.56
LAP3 P28838 1/20 0.54
ALOX5 P09917 3/20 0.53
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
LNPEP Q9UIQ6 2/20 0.52
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 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
SCHEMBL27312933 0.88 MAOB (0.60) LTA4HMAOBLAP3ALOX5PTGS1
SCHEMBL7438290 0.88 SLC7A5 (0.56) LTA4HLAP3PTGS1
SCHEMBL7269254 0.88 SLC7A5 (0.56) LTA4HLAP3PTGS1
Hydrochloric Acid SCHEMBL1126065 0.87 SLC7A5 (0.54) LTA4HLAP3PTGS1
Hydrochloric Acid SCHEMBL6161681 0.87 SLC7A5 (0.54) LTA4HLAP3PTGS1
Trifluoroacetic Acid SCHEMBL2496694 0.83 MAOB (0.54) LTA4HMAOBLAP3ALOX5PTGS1
SCHEMBL17484675 0.83 LTA4H (0.64) LTA4HMAOBLAP3ALOX5PTGS1
SCHEMBL2603686 0.83 LTA4H (0.64) LTA4HMAOBLAP3ALOX5PTGS1
SCHEMBL14559932 0.83 LTA4H (0.64) LTA4HMAOBLAP3ALOX5PTGS1
Trifluoroacetic Acid SCHEMBL9725806 0.82 ALPI (0.49) LTA4HLAP3PTGS1

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-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed