SCHEMBL8969386

SCHEMBL8969386

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
PPARG P37231 1/20 0.40
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 1/20 0.37
PPARD Q03181 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX5 P09917 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 2/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC7 Q8WUI4 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
SCHEMBL9432238 0.97 PPARA (0.47) PPARAPPARGPTGDRPTGDR2CYP1A2
SCHEMBL8417976 0.93 PPARA (0.42) PPARAPTGDRPTGDR2PPARDALOX5
SCHEMBL8419852 0.89 PPARA (0.40) PPARAPPARGPPARDALOX5
SCHEMBL8969517 0.87 CYP4Z1 (0.40) PPARAALOX5MAPK1SMN1; SMN2AKR1C3
SCHEMBL8419836 0.86 ALOX5 (0.41) PPARAPTGDRPTGDR2CYP1A2PPARD
SCHEMBL8417735 0.86 PTGDR (0.39) PPARAPTGDRPTGDR2PPARDALOX5
SCHEMBL8419978 0.86 PPARA (0.42) PPARAPPARGPPARDALOX5
SCHEMBL27436177 0.86 PPARA (0.39) PPARAPPARGPTGDRPTGDR2CYP1A2
SCHEMBL8421859 0.85 PPARA (0.41) PPARAPPARGPPARDALOX5
SCHEMBL27460107 0.84 APP (0.44) PPARAPTGDRPTGDR2PPARDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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