SCHEMBL8418577

SCHEMBL8418577

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 2/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL8418495 0.90 PPARA (0.37) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8418491 0.90 PPARA (0.39) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8421612 0.88 PPARA (0.44) PPARAPPARD
SCHEMBL9263590 0.83 ELANE (0.36) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8422008 0.82 PPARA (0.49) PPARAPPARD
SCHEMBL4771232 0.80 ELANE (0.46) KDM4EALDH1A1MAPTTHRBCYP3A4
SCHEMBL8418604 0.80 ELANE (0.40) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8419852 0.79 PPARA (0.40) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8969225 0.79 ALDH1A1 (0.36) PPARAPPARDGABRA1GABRB2KDM4E
SCHEMBL8419978 0.78 PPARA (0.42) PPARAPPARDKDM4EALDH1A1ALOX5

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