SCHEMBL8422008

SCHEMBL8422008

C=CCc1cc(CC(CC)C(=O)O)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.49
PPARD Q03181 16/20 0.49
PPARG P37231 11/20 0.47

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
SCHEMBL8421612 0.91 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL9269577 0.85 PPARG (0.38) PPARAPPARDPPARG
SCHEMBL8418577 0.82 PPARA (0.41) PPARAPPARD
SCHEMBL8419836 0.79 ALOX5 (0.41) PPARAPPARD
SCHEMBL8418495 0.79 PPARA (0.37) PPARAPPARD
SCHEMBL8418491 0.79 PPARA (0.39) PPARAPPARD
SCHEMBL8417976 0.79 PPARA (0.42) PPARAPPARD
SCHEMBL8418566 0.78 FDFT1 (0.45) PPARA
SCHEMBL27460108 0.78 ALOX5 (0.36) PPARAPPARDPPARG
SCHEMBL8418498 0.78 PTGS2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed