SCHEMBL5573129

SCHEMBL5573129

CCCc1c(OCCCC(=O)N(C)c2cccc(C(=O)OC(C)(C)C)c2)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 15/20 0.43
NR1H2 P55055 14/20 0.43
PPARD Q03181 11/20 0.43
PPARA Q07869 10/20 0.43
PPARG P37231 10/20 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
SCHEMBL5953435 0.87 NR1H3 (0.58) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5576817 0.78 NR1H3 (0.48) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6165165 0.77 NR1H3 (0.52) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6167606 0.75 NR1H3 (0.40) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6167330 0.74 NR1H3 (0.50) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6168914 0.72 NR1H3 (0.45) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6167313 0.72 NR1H3 (0.47) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6367243 0.72 NR1H2 (0.54) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5319506 0.71 NR1H3 (0.61) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5319347 0.71 NR1H3 (0.59) NR1H3NR1H2PPARDPPARAPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758651-A2 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS Galapagos N.V. (BE) 2007-03-07 EP disclosed
WO-2006000577-A9 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS GALAPAGOS GENOMICS NV (BE) 2006-04-20 WO disclosed
WO-2006000577-A2 LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS GALAPAGOS N.V. (BE) 2006-01-05 WO disclosed