SCHEMBL8203704

SCHEMBL8203704

COc1ccc([S+]([O-])C(CCCCc2ccccc2)CC(=O)NO)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.63
PDE4A P27815 11/20 0.63
PDE4B Q07343 11/20 0.63
PDE4C Q08493 11/20 0.63
PDE4D Q08499 11/20 0.63
MMP2 P08253 10/20 0.63
MMP1 P03956 8/20 0.63
BMP1 P13497 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MMP9 P14780 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44

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
SCHEMBL6823452 0.87 PDE4A (0.62) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL7303121 0.85 MMP2 (0.60) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL6819965 0.77 PDE4A (1.00) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL31490743 0.77 MMP1 (0.52) MMP3MMP2MMP1MMP9
SCHEMBL6823664 0.76 MMP3 (0.62) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL7308706 0.75 MMP1 (0.46) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL7303711 0.74 MMP2 (0.51) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL7441379 0.74 MMP1 (0.46) MMP3MMP2MMP1MMP9
SCHEMBL7309609 0.73 MMP3 (0.53) MMP3PDE4APDE4BPDE4CPDE4D
SCHEMBL10419211 0.72 PPARA (0.47) MMP3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US claimed