SCHEMBL8418491

SCHEMBL8418491

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.39
PPARD Q03181 3/20 0.39
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX5 P09917 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8418577 0.90 PPARA (0.41) PPARAPPARDMAPTTHRBGABRA1
SCHEMBL8418495 0.86 PPARA (0.37) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8419729 0.84 PPARA (0.39) PPARAPPARDMAPTTHRBKDM4E
SCHEMBL27546795 0.81 ELANE (0.42) MAPTTHRBKDM4EALDH1A1L3MBTL1
SCHEMBL8419659 0.81 KDM4E (0.39) PPARAPPARDMAPTTHRBGABRA1
SCHEMBL8421612 0.80 PPARA (0.44) PPARAPPARD
SCHEMBL9263590 0.80 ELANE (0.36) PPARAPPARDMAPTGABRA1GABRB2
SCHEMBL8418587 0.79 GABRA1 (0.43) MAPTGABRA1GABRB2KDM4EALDH1A1
SCHEMBL8422008 0.79 PPARA (0.49) PPARAPPARD
SCHEMBL8419836 0.77 ALOX5 (0.41) PPARAPPARDMAPTGABRA1GABRB2

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US 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