SCHEMBL5721701

SCHEMBL5721701

COC(Cc1ccc(OCC(=O)NC(C)c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
PPARA Q07869 6/20 0.51
PPARD Q03181 5/20 0.51
CYP2D6 P10635 1/20 0.46
EPHX2 P34913 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3960321 1.00 PPARG (0.51) PPARGPPARAPPARDCYP2D6EPHX2
SCHEMBL3960331 1.00 PPARG (0.51) PPARGPPARAPPARDCYP2D6EPHX2
SCHEMBL5372547 1.00 PPARG (0.51) PPARGPPARAPPARDCYP2D6EPHX2
SCHEMBL3960715 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3960707 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3968494 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL5358355 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3968491 0.84 ALDH1A1 (0.60) PPARGPPARAPPARDMEN1ALDH1A1
SCHEMBL3965041 0.81 PPARG (0.51) PPARGPPARAPPARDMEN1LMNA
SCHEMBL3965050 0.81 PPARG (0.51) PPARGPPARAPPARDMEN1LMNA

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-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed