SCHEMBL8420646

SCHEMBL8420646

C=CCc1cc(CCC#N)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
CNR2 P34972 3/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ELANE P08246 1/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
DRD3 P35462 2/20 0.31
PPARA Q07869 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL8417976 0.82 PPARA (0.42) ALOX5PTGDRPTGDR2PPARAPPARD
SCHEMBL4651264 0.81 ATM (0.42) MEN1KMT2AGABRA1GABRB2DRD2
SCHEMBL8969386 0.81 PPARA (0.46) ALOX5PTGDRPTGDR2ELANEPPARA
SCHEMBL8419836 0.81 ALOX5 (0.41) ALOX5MEN1KMT2AGABRA1GABRB2
SCHEMBL8417735 0.81 PTGDR (0.39) ALOX5MEN1KMT2AGABRA1GABRB2
SCHEMBL9432238 0.80 PPARA (0.47) ALOX5PTGDRPTGDR2ELANEPPARA
SCHEMBL8418566 0.77 FDFT1 (0.45) ALOX5GABRA1GABRB2PPARAALDH1A1
SCHEMBL8419852 0.77 PPARA (0.40) ALOX5MEN1KMT2AGABRA1GABRB2
SCHEMBL8419978 0.76 PPARA (0.42) ALOX5PPARAALDH1A1PPARGPPARD
SCHEMBL27460107 0.76 APP (0.44) ALOX5KMT2AGABRA1GABRB2PTGDR

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