SCHEMBL6572893

SCHEMBL6572893

COC(Cc1ccc(C(=O)CCCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.77
PPARA Q07869 14/20 0.77
PPARD Q03181 9/20 0.77
HDAC3 O15379 5/20 0.53
HDAC4 P56524 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53

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
SCHEMBL5377133 1.00 PPARG (0.77) PPARGPPARAPPARDHDAC3HDAC4
SCHEMBL5383611 0.99 PPARG (0.78) PPARGPPARAPPARDHDAC3HDAC4
SCHEMBL5379960 0.99 PPARG (0.78) PPARGPPARAPPARDHDAC3HDAC4
SCHEMBL5380607 0.96 PPARG (0.80) PPARGPPARAPPARD
SCHEMBL5379842 0.91 PPARA (0.81) PPARGPPARAPPARD
SCHEMBL5377368 0.91 PPARG (0.77) PPARGPPARAPPARDHDAC1HDAC2
SCHEMBL5377378 0.91 PPARG (0.77) PPARGPPARAPPARDHDAC1HDAC2
SCHEMBL5380290 0.90 PPARG (0.83) PPARGPPARAPPARD
SCHEMBL5383558 0.90 PPARG (0.83) PPARGPPARAPPARD
SCHEMBL5384045 0.90 PPARG (0.78) PPARGPPARAPPARDHDAC1HDAC2

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-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed