SCHEMBL5953435

SCHEMBL5953435

CCCc1c(OCCCC(=O)N(C)c2cccc(C(=O)OC(C)(C)C)c2)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.58
NR1H2 P55055 15/20 0.58
PPARD Q03181 10/20 0.58
PPARA Q07869 9/20 0.58
PPARG P37231 9/20 0.58

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
SCHEMBL5573129 0.87 NR1H3 (0.43) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6367243 0.84 NR1H2 (0.54) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5954077 0.82 NR1H3 (0.63) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6366557 0.81 NR1H3 (0.67) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5820509 0.80 NR1H3 (0.62) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5953921 0.79 NR1H2 (0.63) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6371470 0.77 NR1H3 (0.75) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5953868 0.77 NR1H3 (0.69) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL5953462 0.76 NR1H3 (0.63) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL6175211 0.76 NR1H3 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060020036-A1 Methods and compositions to promote bone homestasis GALAPAGOS N.V. (BE) 2006-01-26 US disclosed