SCHEMBL3390895

SCHEMBL3390895

[O]c1ccc(F)cc1-c1ccc(S(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.51
HTR2C P28335 5/20 0.51
KCNH2 Q12809 2/20 0.51
HTR6 P50406 4/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
FEN1 P39748 1/20 0.37
PKM P14618 1/20 0.36
HTR2B P41595 2/20 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
SCHEMBL3421956 0.86 PTGDR2 (0.43) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL1993674 0.84 HTR2A (0.50) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL2348067 0.81 MEN1 (0.50) HTR2AHTR2CKCNH2HTR6POLB
SCHEMBL13210565 0.77 HTR2A (0.55) HTR2AHTR2CKCNH2HTR6
SCHEMBL1989784 0.76 PTGDR2 (0.58) HTR2AHTR2CKCNH2ALDH1A1FEN1
SCHEMBL2908737 0.74 FEN1 (0.43) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL4126597 0.74 PTGS2 (0.46) HTR2AHTR2CKCNH2HTR6MAPT
SCHEMBL586329 0.73 HTR6 (0.58) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL778229 0.73 HTR6 (0.70) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL7937274 0.73 HTR6 (0.70) HTR2AHTR2CKCNH2HTR6ALDH1A1

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
EP-1937633-B8 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-12-22 EP claimed
EP-1937633-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039741-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO claimed