SCHEMBL1400545

SCHEMBL1400545

CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2C(CC)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.72
PPARD Q03181 8/20 0.72
PPARG P37231 12/20 0.61

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
SCHEMBL1400611 0.91 PPARA (0.73) PPARAPPARDPPARG
SCHEMBL1400355 0.85 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL1400379 0.84 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL1400334 0.84 PPARD (1.00) PPARAPPARD
SCHEMBL12798652 0.80 PPARD (0.83) PPARAPPARDPPARG
SCHEMBL1400340 0.80 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL1400434 0.79 PPARG (0.58) PPARAPPARG
SCHEMBL3019658 0.78 PPARA (0.76) PPARAPPARDPPARG
Trifluoroacetic Acid SCHEMBL1400475 0.78 PPARA (0.60) PPARAPPARG
SCHEMBL1400389 0.78 PPARA (0.62) PPARAPPARDPPARG

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
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed