SCHEMBL1706161

SCHEMBL1706161

CCOC(Cc1ccc(N)cc1)C(=O)O.CCOC(Cc1cccc(N)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.54
PPARG P37231 17/20 0.54
PPARD Q03181 4/20 0.54

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
SCHEMBL756254 0.95 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL4074678 0.89 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL756057 0.89 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL4082095 0.89 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL1706162 0.88 CYP19A1 (0.42) PPARAPPARGPPARD
SCHEMBL4081032 0.82 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL1670312 0.81 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL4993002 0.81 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL1861279 0.81 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL1104874 0.81 PPARG (0.43) PPARAPPARGPPARD

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
EP-2131829-B1 PPAR-gamma agonists for the induction of cationic antimicrobial peptide expression as immunoprotective stimulants GIULIANI INT LTD (IE) 2012-04-18 EP disclosed