SCHEMBL8969517

SCHEMBL8969517

C=CCc1cc(CCCC(=O)OCC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.40
FDFT1 P37268 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
MAPK1 P28482 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX5 P09917 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PTPN1 P18031 2/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 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
SCHEMBL8418566 0.94 FDFT1 (0.45) CYP4Z1FDFT1MAPK1L3MBTL1ALOX5
SCHEMBL8419852 0.90 PPARA (0.40) L3MBTL1ALOX5PPARATDP1ALDH1A1
SCHEMBL8969386 0.87 PPARA (0.46) MAPK1ALOX5PPARAAKR1C3AKR1C2
SCHEMBL8419978 0.87 PPARA (0.42) ALOX5PPARAALDH1A1LMNA
SCHEMBL8421859 0.86 PPARA (0.41) ALOX5PPARAALDH1A1LMNA
SCHEMBL27460107 0.85 APP (0.44) FDFT1MAPK1L3MBTL1ALOX5PPARA
SCHEMBL9432238 0.84 PPARA (0.47) ALOX5PPARA
SCHEMBL8419729 0.84 PPARA (0.39) FDFT1ALOX5PPARATDP1AKR1C3
SCHEMBL8419836 0.83 ALOX5 (0.41) L3MBTL1ALOX5PPARATDP1AKR1C3
SCHEMBL8417976 0.83 PPARA (0.42) ALOX5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed