SCHEMBL7512115

SCHEMBL7512115

O=C(O)C(CCCc1ccccc1)CS(=O)(=O)c1ccccc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.52
MMP3 P08254 6/20 0.52
MMP9 P14780 5/20 0.52
MMP8 P22894 5/20 0.52
MMP1 P03956 5/20 0.52
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
GRIK1 P39086 1/20 0.43
FFAR4 Q5NUL3 1/20 0.40
FKBP1A P62942 2/20 0.39
PPARG P37231 2/20 0.38

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
SCHEMBL7074155 0.84 MMP2 (0.62) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7073281 0.82 MMP2 (0.58) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7079193 0.78 PPARG (0.56) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7079165 0.77 MMP2 (0.54) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7075141 0.74 MMP2 (0.80) MMP2MMP3MMP9MMP8MMP1
SCHEMBL27517321 0.72 MMP2 (0.81) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7079276 0.72 MMP2 (0.52) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7221011 0.70 MMP2 (0.59) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7075406 0.70 MMP2 (0.77) MMP2MMP3MMP9MMP8MMP1
SCHEMBL7078224 0.70 MMP2 (0.77) MMP2MMP3MMP9MMP8MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO disclosed