SCHEMBL5784004

SCHEMBL5784004

COCc1ccc(-c2cc(COc3ccc4c(CC(=O)O)csc4c3)no2)cc1.COCc1cccc(-c2cc(COc3ccc4c(CC(=O)O)csc4c3)no2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.70
PPARD Q03181 13/20 0.70
PPARG P37231 3/20 0.54
FFAR1 O14842 2/20 0.42
SMPD1 P17405 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5639570 0.97 PPARA (0.69) PPARAPPARDPPARGFFAR1ITGB3
SCHEMBL5639234 0.94 PPARA (0.78) PPARAPPARDPPARGSMPD1ITGB3
SCHEMBL5802559 0.85 PPARA (0.85) PPARAPPARDPPARG
SCHEMBL5643122 0.84 PPARD (0.60) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL5639602 0.84 PPARA (0.72) PPARAPPARDPPARGFFAR1
SCHEMBL5639088 0.83 PPARD (1.00) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL5640225 0.82 PPARA (0.67) PPARAPPARDPPARGITGB3ITGB1
SCHEMBL5639634 0.82 PPARD (0.69) PPARAPPARDPPARGFFAR1MAPT
SCHEMBL5641428 0.81 PPARA (0.77) PPARAPPARDPPARGITGB3ITGB1
SCHEMBL5638536 0.81 PPARA (0.81) PPARAPPARDPPARGSMPD1KDM4E

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-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP claimed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO claimed