SCHEMBL8418604

SCHEMBL8418604

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
PPARA Q07869 4/20 0.39
ALOX5 P09917 4/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGS1 P23219 1/20 0.36
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
CNR2 P34972 2/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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 0.80 PPARA (0.41) ELANEPPARAALOX5MAPTTHRB
SCHEMBL8419852 0.80 PPARA (0.40) PPARAALOX5MAPTTHRBALDH1A1
SCHEMBL27460108 0.80 ALOX5 (0.36) ELANEPPARAALOX5ALDH1A1MEN1
SCHEMBL8419978 0.79 PPARA (0.42) PPARAALOX5MAPTTHRBALDH1A1
SCHEMBL8419836 0.79 ALOX5 (0.41) ELANEPPARAALOX5MAPTALDH1A1
SCHEMBL4771232 0.79 ELANE (0.46) ELANEMAPTTHRBALDH1A1KDM4E
SCHEMBL8417976 0.79 PPARA (0.42) PPARAALOX5PTGDRPTGDR2PPARD
SCHEMBL8421859 0.78 PPARA (0.41) PPARAALOX5MAPTALDH1A1KDM4E
SCHEMBL8421612 0.78 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL8419730 0.78 GABRA1 (0.45) PPARAALOX5MAPTALDH1A1KDM4E

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