SCHEMBL4693205

SCHEMBL4693205

O=C(NO)OC1c2ccccc2CCN1S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.47
MMP9 P14780 7/20 0.46
MMP14 P50281 6/20 0.46
MMP13 P45452 5/20 0.46
MMP3 P08254 9/20 0.45
MMP8 P22894 8/20 0.45
MMP7 P09237 4/20 0.44
MMP2 P08253 3/20 0.42
EPHX2 P34913 1/20 0.42
LIPE Q05469 1/20 0.41
HTR6 P50406 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL5162513 1.00 MMP1 (0.47) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5163119 1.00 MMP1 (0.47) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5160300 0.91 MMP8 (0.49) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5191360 0.90 MMP1 (0.42) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5163191 0.90 MMP1 (0.42) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5160245 0.89 THRB (0.49) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5159963 0.89 THRB (0.49) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5439605 0.89 HTR6 (0.42) MMP1MMP9MMP14MMP13MMP3
SCHEMBL5431774 0.89 HTR6 (0.42) MMP1MMP9MMP14MMP13MMP3
SCHEMBL3311307 0.89 HTR6 (0.42) MMP1MMP9MMP14MMP13MMP3

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-1763515-B1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP claimed
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 claimed
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 claimed
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