SCHEMBL9804659

SCHEMBL9804659

CCOc1ccc(C(CCC(C)c2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
CETP P11597 1/20 0.43
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
PTGS1 P23219 1/20 0.41
FFAR1 O14842 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9804514 0.84 LTA4H (0.45) LTA4HCETPACACBACACAPTGS1
SCHEMBL9561389 0.83 LTA4H (0.48) LTA4HCETPACACBACACAPTGS1
SCHEMBL9561393 0.83 LTA4H (0.48) LTA4HCETPACACBACACAPTGS1
SCHEMBL9561289 0.81 LTA4H (0.48) LTA4HCETPACACBACACAPTGS1
SCHEMBL9561286 0.81 LTA4H (0.48) LTA4HCETPACACBACACAPTGS1
SCHEMBL7931627 0.81 CETP (0.49) LTA4HCETPFFAR1
SCHEMBL9561453 0.80 LTA4H (0.47) LTA4HCETPACACBACACAPTGS1
SCHEMBL9561461 0.80 LTA4H (0.47) LTA4HCETPACACBACACAPTGS1
SCHEMBL7929160 0.79 PTGS1 (0.47) LTA4HCETPPTGS1MEN1KMT2A
SCHEMBL9804613 0.78 LTA4H (0.50) LTA4HCETPACACBACACAPTGS1

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
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed