SCHEMBL5983671

SCHEMBL5983671

O=C(O)[C@@H](Cc1ccccc1)Oc1cccc(-c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.56
PPARA Q07869 15/20 0.56
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49

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
SCHEMBL3977594 1.00 PPARG (0.56) PPARGPPARAHDAC1HDAC3HDAC7
SCHEMBL3974335 0.99 PPARG (0.55) PPARGPPARAHDAC1HDAC3HDAC7
SCHEMBL3972713 0.98 PPARG (0.56) PPARGPPARAHDAC1HDAC3HDAC7
SCHEMBL3974597 0.96 PPARG (0.58) PPARGPPARAHDAC1HDAC3HDAC7
SCHEMBL3974353 0.94 PPARG (0.54) PPARGPPARAHDAC1HDAC3HDAC7
SCHEMBL3974606 0.93 PPARG (0.64) PPARGPPARAHDAC1
SCHEMBL5984622 0.93 PPARG (0.64) PPARGPPARAHDAC1
SCHEMBL3974226 0.91 PPARG (0.64) PPARGPPARA
SCHEMBL3980861 0.90 PPARG (0.56) PPARGPPARAHDAC1HDAC3HDAC7
SCHEMBL3978007 0.89 PPARG (0.67) PPARGPPARA

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-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP claimed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO claimed