SCHEMBL4692409

SCHEMBL4692409

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4C3OC(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.54
MMP1 P03956 6/20 0.49
MMP2 P08253 4/20 0.49
MMP9 P14780 4/20 0.49
MMP12 P39900 3/20 0.49
MMP14 P50281 3/20 0.49
MMP15 P51511 3/20 0.49
MMP16 P51512 3/20 0.49
MMP26 Q9NRE1 3/20 0.49
MMP7 P09237 2/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 2/20 0.47
MMP8 P22894 4/20 0.46
MMP3 P08254 4/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5435855 0.91 TAS2R14 (0.51) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL5164049 0.89 MMP1 (0.52) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL3302250 0.86 MMP1 (0.57) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL14427251 0.86 MMP1 (0.57) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL5437354 0.82 MMP1 (0.46) TAS2R14MMP1LMNAALDH1A1TSHR
SCHEMBL8274070 0.81 MMP1 (0.72) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427250 0.81 MMP1 (0.72) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1023175 0.81 ESR1 (0.55) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL1023199 0.81 MMP1 (0.51) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL5448028 0.81 MMP1 (0.44) TAS2R14MMP1MMP2MMP9MMP12

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-1763515-B1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
EP-1763515-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002764-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed