SCHEMBL3435329

SCHEMBL3435329

O=S(=O)(c1ccccc1)c1ccccc1-c1[c]cccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KIF18A Q8NI77 1/20 0.36
FEN1 P39748 2/20 0.35
ALOX5AP P20292 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9793431 0.79 HTR6 (0.62) HTR6KMT2ATSHRHTTPOLB
SCHEMBL8510774 0.79 TTR (0.38) KMT2ATSHRALDH1A1
SCHEMBL5030908 0.79 HSD11B1 (0.40) KMT2APOLBFEN1ALOX5APKDM4E
SCHEMBL11306716 0.78 MEN1 (0.31) KMT2AGAA
SCHEMBL8510448 0.75 NPC1 (0.30) TSHRHTTALDH1A1
SCHEMBL7179095 0.75 FEN1 (0.41) TSHRPOLBFEN1ALOX5APALDH1A1
SCHEMBL9242466 0.74 HTR6 (0.55) HTR6KMT2ATSHRHTTPOLB
SCHEMBL8844836 0.74 HTR6 (0.55) HTR6KMT2ATSHRHTTPOLB
SCHEMBL7178906 0.72 NSD2 (0.45) KMT2AFEN1ALOX5APKDM4E
SCHEMBL2761711 0.72 MEN1 (0.32) KMT2AHTTPOLBNPSR1KDM4E

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