SCHEMBL8419978

SCHEMBL8419978

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.42
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
ALOX5 P09917 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARD Q03181 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 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
SCHEMBL8421859 0.99 PPARA (0.41) PPARAPDE3BPDE3AP2RY12ALOX5
SCHEMBL8419852 0.97 PPARA (0.40) PPARAALOX5ALDH1A1PPARDKDM4E
SCHEMBL9432238 0.89 PPARA (0.47) PPARAALOX5PPARDMAPTPPARG
SCHEMBL8969517 0.87 CYP4Z1 (0.40) PPARAALOX5ALDH1A1LMNA
SCHEMBL8969386 0.86 PPARA (0.46) PPARAALOX5PPARDPPARG
SCHEMBL8419836 0.84 ALOX5 (0.41) PPARAALOX5ALDH1A1PPARDKDM4E
SCHEMBL8417976 0.84 PPARA (0.42) PPARAALOX5PPARD
SCHEMBL8419729 0.83 PPARA (0.39) PPARAALOX5ALDH1A1PPARDKDM4E
SCHEMBL8418566 0.82 FDFT1 (0.45) PPARAPDE3BPDE3AP2RY12ALOX5
SCHEMBL8417735 0.82 PTGDR (0.39) PPARAALOX5ALDH1A1PPARDKDM4E

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
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