SCHEMBL5566405

SCHEMBL5566405

O=C(O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.50
PPARG P37231 5/20 0.49
POLB P06746 1/20 0.48
ACE P12821 4/20 0.47
FOLH1 Q04609 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45

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
SCHEMBL30200282 0.85 MME (0.52) MMEPPARGACEFOLH1NAALAD2
SCHEMBL28447871 0.85 MME (0.52) MMEPPARGACEFOLH1NAALAD2
SCHEMBL8299830 0.83 PPARG (0.51) MMEPPARGACEFOLH1NAALAD2
SCHEMBL346889 0.81 MME (0.51) MMEPPARGACEFOLH1NAALAD2
SCHEMBL3923887 0.80 PPARG (0.56) MMEPPARGACEFOLH1NAALAD2
SCHEMBL3923892 0.80 PPARG (0.56) MMEPPARGACEFOLH1NAALAD2
SCHEMBL18351661 0.80 PPARG (0.56) MMEPPARGACEFOLH1NAALAD2
SCHEMBL12984801 0.80 ALDH1A1 (0.49) ALDH1A1LMNA
SCHEMBL290549 0.80 PPARG (0.76) PPARG
SCHEMBL2217249 0.80 PPARG (0.76) PPARG

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-1842542-A1 Novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure Bethesda Pharmaceuticals, Inc. (US) 2007-10-10 EP disclosed